SCHEMBL458410

SCHEMBL458410

CC(C)c1cccc(C(N)=O)c1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.44
HPGD P15428 2/20 0.43
TSHR P16473 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
LMNA P02545 2/20 0.43
FAAH O00519 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
GABRB1 P18505 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2C P28335 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
HTR2B P41595 1/20 0.43
GABRA2 P47869 1/20 0.43

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
SCHEMBL30797325 1.00 IRAK4 (0.44) IRAK4HPGDTSHRGABRA1GABRG2
Hydrochloric Acid SCHEMBL30797245 0.98 IRAK4 (0.43) IRAK4HPGDTSHRGABRA1GABRG2
Hydrochloric Acid SCHEMBL29160773 0.98 IRAK4 (0.43) IRAK4HPGDTSHRGABRA1GABRG2
Oxalic Acid SCHEMBL23529511 0.95 IRAK4 (0.41) IRAK4HPGDTSHRGABRA1GABRG2
Maleic Acid SCHEMBL6137322 0.90 KDM4E (0.44) IRAK4HPGDTSHRGABRA1GABRG2
SCHEMBL2977145 0.88 IRAK4 (0.50) IRAK4HPGDTSHRKDM4EALDH1A1
SCHEMBL29214418 0.84 GABRA1 (0.46) HPGDTSHRGABRA1GABRG2GABRB3
SCHEMBL105262 0.84 IRAK4 (0.55) IRAK4HPGDTSHRGABRA1GABRG2
SCHEMBL31632660 0.84 IRAK4 (0.55) IRAK4HPGDTSHRGABRA1GABRG2
SCHEMBL16466774 0.82 LMNA (0.45) HPGDTSHRGABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118359610-A MENIN-MLL interaction inhibitors 生命医药有限责任公司 2024-07-19 CN claimed
CN-117567232-A Extraction separation method of alkyl benzothiophene in beta-methylnaphthalene 中煤科工清洁能源股份有限公司 2024-02-20 CN claimed
CN-110139861-B Pyran derivatives as CYP11A1 (cytochrome P450 monooxygenase 11A 1) inhibitors 奥赖恩公司 2022-12-30 CN claimed
CN-109743875-B Inhibitors of the MENIN-MLL interaction 生命医药有限责任公司 2022-04-29 CN claimed
CN-113214552-B Method for manufacturing rubber rain shoes with metallic color effect 杭州星发彩印有限公司 2022-04-05 CN claimed
CN-113214552-A Method for manufacturing rubber rain shoes with metallic color effect 杭州星发彩印有限公司 2021-08-06 CN claimed
CN-111904962-A Pharmaceutical composition containing PDE4 inhibitor and PI3 or dual PI 3-gamma kinase inhibitor 理森制药股份公司 2020-11-10 CN claimed
CN-110325533-A INHIBITORS OF THE MENIN-MLL INTERACTION 生命医药有限责任公司 2019-10-11 CN claimed
CN-109743875-A The inhibitor of MENIN-MLL interaction 生命医药公司 2019-05-10 CN claimed
CN-104903300-B COMT inhibitor 霍夫曼-拉罗奇有限公司 2018-04-17 CN claimed
CN-101917845-A Haloallylamine inhibitors of SSAO/VAP-1 and uses therefor PHARMAXIS LTD 2010-12-15 CN claimed
CN-1926113-A Novel amido substituted hydroxy-6-phenylphenanthridines and their use as PDE4 inhibitors ALTANA PHARMA AG (DE) 2007-03-07 CN claimed
CN-1269805-C 4- (phenyl-piperazinyl-methyl) -benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders ASTRAZENECA AB (SE) 2006-08-16 CN claimed
CN-1547579-A 4-(phenyl-piperdin-4-ylidene-methyl)-benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders 2004-11-17 CN claimed
CN-1527820-A 4-(phenyl-piperazinyl-methyl)benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestional disorders 2004-09-08 CN claimed
CN-1527828-A 4- (phenyl-piperidin-4-ylidene-methyl) -benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders 2004-09-08 CN claimed
CN-1509271-A 4- (phenyl-piperidin-4-ylidene-methyl) -benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders 2004-06-30 CN claimed
EP-1395574-A1 4-(PHENYL-PIPERIDIN-4-YLIDENE-METHYL)-BENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PAIN, ANXIETY OR GASTROINTESTINAL DISORDERS AstraZeneca AB (SE) 2004-03-10 EP claimed
WO-2002094810-A1 4-(PHENYL-PIPERIDIN-4-YLIDENE-METHYL)-BENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PAIN, ANXIETY OR GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2002-11-28 WO claimed
EP-0518819-B1 Amidino compounds, their manufacture and use as medicament CIBA GEIGY AG (CH) 1995-08-02 EP claimed