SCHEMBL72113

SCHEMBL72113

CCc1cccc(C(N)=O)c1CC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.49
GABRA1 P14867 2/20 0.46
GABRB2 P47870 2/20 0.46
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
CLCN2 P51788 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
NR1I2 O75469 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL7467552 0.98 PARP1 (0.47) PARP1GABRA1GABRB2KDM4EALDH1A1
SCHEMBL6321332 0.98 PARP1 (0.47) PARP1GABRA1GABRB2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL8527465 0.98 PARP1 (0.47) PARP1GABRA1GABRB2KDM4EALDH1A1
Fluoride SCHEMBL28693457 0.98 PARP1 (0.47) PARP1GABRA1GABRB2KDM4EALDH1A1
Charcoal, Activated SCHEMBL9345241 0.98 PARP1 (0.47) PARP1GABRA1GABRB2KDM4EALDH1A1
SCHEMBL45719 0.91 PARP1 (0.51) PARP1KDM4EALDH1A1MAPTHPGD
SCHEMBL8609852 0.90 PARP1 (0.45) PARP1GABRA1GABRB2KDM4EALDH1A1
SCHEMBL27983411 0.90 PARP1 (0.49) PARP1GABRA1GABRB2KDM4EALDH1A1
SCHEMBL144959 0.89 PARP1 (0.44) PARP1GABRA1GABRB2KDM4EALDH1A1
SCHEMBL3420974 0.89 PARP1 (0.44) PARP1GABRA1GABRB2KDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 700 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117897439-A Method for screening solvent for extraction of polyvinyl chloride, method for recovering waste material, and recovered polyvinyl chloride and composition 株式会社LG化学 2024-04-16 CN claimed
CN-117897440-A Method for screening solvent for extraction of polyvinyl chloride, method for recycling waste material, recycled polyvinyl chloride and composition 株式会社LG化学 2024-04-16 CN claimed
CN-114516965-B Intelligent photochromic material and preparation method and application thereof 厦门稀土材料研究所 2023-08-29 CN claimed
CN-116554104-A Indenone and indazolone derivatives with antioxidant activity, and synthetic method and application thereof 西南大学 2023-08-08 CN claimed
CN-116143602-A Indenone and indazolone derivatives with antioxidant activity, and synthetic method and application thereof 西南大学 2023-05-23 CN claimed
CN-111876141-B Clean fracturing fluid, preparation method and application of clean fracturing fluid in coal seam water injection 山东科技大学 2023-04-07 CN claimed
CN-114438343-B Difunctional hydrophobic eutectic solvent for selectively extracting lithium and preparation method and application method thereof 中国科学院过程工程研究所 2023-03-17 CN claimed
CN-115485279-A Antibacterial 8-phenylamino-3- (pyrazol-4-yl) imidazo [1,2-a ] pyrazine derivatives 豪夫迈·罗氏有限公司 2022-12-16 CN claimed
CN-114939438-B Method for selective hydrogenation of olefinic unsaturated carbonyl compound and catalyst thereof 山东新和成药业有限公司 2022-09-23 CN claimed
CN-114939438-A Method for selective hydrogenation of olefinic unsaturated carbonyl compound and catalyst thereof 山东新和成药业有限公司 2022-08-26 CN claimed
EP-1177209-A1 COMPOSITIONS OF SOLVENTS AND HIGH CONCENTRATIONS OF NUCLEIC ACID ANALOGS PE Corporation (NY) (US) 2002-02-06 EP claimed
US-6331618-B1 FOR ANALYTICAL METHODS SUCH AS GEL ELECTROPHORESIS, HIGH-PERFORMANCE LIQUID CHROMATOGRAPHY, PRIMER EXTENSION REACTIONS, POLYMERASE CHAIN REACTION (PCR), MASS SPECTROSCOPY, NUCLEAR MAGNETIC RESONANCE (NMR) AND X-RAY CRYSTALLIZATION PE CORPORATION (NY) 2001-12-18 US claimed
EP-1113782-A1 USE OF MENTHYL-2-PYRROLIDONE-5-CARBOXYLATE AS AN INSECT REPELLENT QUEST INTERNATIONAL B.V. (NL) 2001-07-11 EP claimed
WO-2001045637-A2 NOVEL 4(PIPERAZINYL (8-QUINOLINYL)METYL)BENZAMIDES ASTRAZENECA AB (SE) 2001-06-28 WO claimed
WO-2000069899-A1 COMPOSITIONS OF SOLVENTS AND HIGH CONCENTRATIONS OF NUCLEIC ACID ANALOGS PE CORPORATION (NY) (US) 2000-11-23 WO claimed
CN-1262600-A Compositions and method for reducing respiratory depression and attendant side effects of mu opioid compounds DELTA PHARMACEUTICALS INC (US) 2000-08-09 CN claimed
WO-2000016738-A1 USE OF MENTHYL-2-PYRROLIDONE-5-CARBOXYLATE AS AN INSECT REPELLENT QUEST INTERNATIONAL B.V. (NL) 2000-03-30 WO claimed
US-5922887-A NOVEL DELTA OPIOD MODULATORS FOR THE TREATMENT OR PROPHYLAXIS OF PAIN, ORGAN TRANSPLANT REJECTION, DIARRHEA, EPILEPTIC SEIZURES, NEUROLOGICAL DISEASES, AND OTHER DISORDERS SMITHKLINE BEECHAM SPA (IT) 1999-07-13 US claimed
EP-0518819-B1 Amidino compounds, their manufacture and use as medicament CIBA GEIGY AG (CH) 1995-08-02 EP claimed
EP-0286242-A2 Ethanolamine derivates, processes for their preparation and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1988-10-12 EP claimed