SCHEMBL4805587

SCHEMBL4805587

Cc1cccc(NCC(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2C19 P33261 2/20 0.60
HTT P42858 2/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
HSD17B10 Q99714 1/20 0.55
GAA P10253 2/20 0.53
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
HPGD P15428 2/20 0.50
POLB P06746 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GRK2 P25098 1/20 0.50
KDM4E B2RXH2 1/20 0.49
IDO1 P14902 1/20 0.49

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
SCHEMBL340537 0.86 AKR1C3 (0.55) MAPTALDH1A1LMNAGAAKMT2A
Toluene SCHEMBL28200952 0.85 LMNA (0.47) MAPTHTTALDH1A1LMNAKMT2A
SCHEMBL966007 0.84 MAPT (0.58) MAPTCYP1A2CYP3A4CYP2C19HTT
SCHEMBL11817117 0.83 AKR1C3 (0.71) MAPTCYP1A2CYP3A4CYP2C19HTT
SCHEMBL9779996 0.82 MAPT (0.56) MAPTCYP1A2CYP3A4CYP2C19HTT
SCHEMBL26333381 0.82 ALDH1A1 (0.59) MAPTCYP1A2CYP3A4CYP2C19HTT
SCHEMBL3199664 0.82 MAPT (0.67) MAPTCYP1A2CYP3A4CYP2C19HTT
SCHEMBL8265464 0.82 FNTA (0.52) MAPTALDH1A1KMT2AHPGDPOLB
SCHEMBL21642918 0.81 ALDH1A1 (0.58) MAPTCYP1A2CYP3A4CYP2C19HTT
SCHEMBL13603822 0.80 KDM4E (0.45) MAPTCYP1A2CYP3A4HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118910628-A Selenizing and amination method of olefin under mild electrochemical condition 湘潭大学 2024-11-08 CN claimed
CN-113480485-B 1,2, 4-triaryl-1, 2, 4-triazoles compound and synthetic method thereof 甘肃农业大学 2023-04-07 CN claimed
CN-118910628-A Selenizing and amination method of olefin under mild electrochemical condition 湘潭大学 2024-11-08 CN disclosed
CN-116235053-A Test kit with improved specificity by suppressing false positives 电化株式会社 2023-06-06 CN disclosed
CN-113480485-B 1,2, 4-triaryl-1, 2, 4-triazoles compound and synthetic method thereof 甘肃农业大学 2023-04-07 CN disclosed
CN-109651363-B Aminomethylated imidazo [1,2-a ] pyridine compound and preparation method thereof 东华理工大学 2020-06-26 CN disclosed
WO-2017133258-A1 1H-INDAZOLE DERIVATIVE AND USE THEREOF AS IDO INHIBITOR 西华大学 2017-08-10 WO disclosed
CN-102165950-B Bacteriostatic and bactericidal activity of phenylglycine derivative on escherichia coli UNIV ZHEJIANG 2014-02-26 CN disclosed
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-8053453-B2 Pyrazolone compounds and thrombopoietin receptor activator NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-11-08 US disclosed
US-6200981-B1 FOR TREATING INFLAMMATORY DISEASES SUCH AS ASTHMA, INFLAMMATORY BOWEL DISEASE, PSORIASIS, RHEUMATOID ARTHRITIS, MYOCARDIAL ISCHAEMIA, CYSTIC FIBROSIS, ARTHEREOSCLEROSIS, RESTENOSIS, PERIDONTAL DISEASE, SEPTIC SHOCK, OSTEOARTHRITIS ASTRAZENECA UK LIMITED (GB) 2001-03-13 US disclosed
EP-1000038-A1 NOVEL PYRIMIDIN DERIVATIVES AstraZeneca UK Limited (GB) 2000-05-17 EP disclosed
US-6007965-A Photopolymerizable compositions including squarylium compounds YAMAOKA TSUGUO (JP) 1999-12-28 US disclosed
WO-1999005123-A1 NOVEL PYRIMIDIN DERIVATIVES ASTRAZENECA UK LIMITED (GB) 1999-02-04 WO disclosed
US-5756258-A MATERIALS FOR HOLOGRAMS, PLATES FOR LASER DIRECT PROCESS, PHOTORESISTS AND PHOTOSENSITIVE ELEMENTS KYOWA HAKKO CO., LTD. (JP) 1998-05-26 US disclosed
US-5681685-A HIGH SENSITIVITY TO VISIBLE LIGHT KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-10-28 US disclosed
EP-0729945-A1 PHOTOPOLYMERIZABLE COMPOSITION CONTAINING SQUARYLIUM COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-09-04 EP disclosed
EP-0611997-A1 PHOTOPOLYMERIZABLE COMPOSITION KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-08-24 EP disclosed
EP-0499376-A1 Precipitation-induced asymmetric transformation of chiral alpha-amino acids and salts thereof HOECHST CELANESE CORPORATION (US) 1992-08-19 EP disclosed