SCHEMBL262234

SCHEMBL262234

CC(=C[C]=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.43
CES1 P23141 3/20 0.43
KDM1A O60341 1/20 0.41
DEGS1 O15121 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
GLA P06280 1/20 0.39
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
DAO P14920 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
MAPK1 P28482 1/20 0.38
ESR1 P03372 1/20 0.38
AKT1 P31749 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGS2 P35354 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL6801638 1.00 CES2 (0.43) CES2CES1KDM1ADEGS1TDP1
SCHEMBL262233 1.00 CES2 (0.43) CES2CES1KDM1ADEGS1TDP1
SCHEMBL31599571 0.77 PDE4A (0.49) CES2CES1KDM1ADEGS1ALDH1A1
SCHEMBL10771652 0.77 KDM1A (0.41) CES2CES1KDM1ADEGS1TDP1
SCHEMBL8548467 0.77 PDE4A (0.49) CES2CES1KDM1ADEGS1ALDH1A1
SCHEMBL5168262 0.77 PDE4A (0.49) CES2CES1KDM1ADEGS1ALDH1A1
SCHEMBL4285852 0.76 NFE2L2 (0.48) CES2CES1TDP1TSHRALDH1A1
SCHEMBL1478038 0.76 ALDH1A1 (0.43) CES2CES1TDP1TSHRALDH1A1
SCHEMBL8759460 0.76 KDM1A (0.40) CES2CES1KDM1ADEGS1TDP1
SCHEMBL2550747 0.75 NQO2 (0.51) CES2CES1ALDH1A1PTGS2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106045906-B A kind of preparation method of the dihydro quinoline ketone compound of trifluoromethyl substitution 复旦大学 2018-10-16 CN disclosed
CN-105358617-B Anti-zoned polymer 特纳斯技术股份有限公司 2018-09-21 CN disclosed
CN-107922344-A general RAFT agent 联邦科学与工业研究组织 2018-04-17 CN disclosed
CN-107708757-A Method for negatively affecting biomembrane 联邦科学和工业研究组织 2018-02-16 CN disclosed
CN-104640972-B release medium 昆士兰大学 2018-02-16 CN disclosed
CN-107614491-A Enzyme interacting agent 蒙纳什大学 2018-01-19 CN disclosed
CN-104650286-B The preparation method of high heat-resistant polymethyl methacrylate resin 长春工业大学 2017-12-05 CN disclosed
CN-107108489-A general RAFT agent 联邦科学与工业研究组织 2017-08-29 CN disclosed
CN-104105718-B RAFT polymers 联邦科学和工业研究组织 2017-05-10 CN disclosed
US-9558863-B2 Electrically conductive polymers with enhanced conductivity KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2017-01-31 US disclosed
CN-1203089-C New compound FUJISAWA PHARMACEUTICAL CO (JP) 2005-05-25 CN disclosed
US-6265536-B1 MICROBIOCIDE AND FUNGICIDE WHICH IS INHIBITOR OF BETA-1,3-GLUCAN SYNTHASE; TREATMENT OF PNEUMOCYSTIS CARINII INFECTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-07-24 US disclosed
US-6107458-A FUNGICIDE WHICH IS BETA-1,3-GLYCAN SYNTHASE INHIBITOR; FOR PROPHYLAXIS AND TREATMENT OF PNEUMOCYSTIS CARINII INFECTIONS LIKE PNEUMONIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-22 US disclosed
CN-1210539-A Cephem compounds and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO (JP) 1999-03-10 CN disclosed
CN-1041919-C N-(3-piperidinylcarbonyl)-beta-alanine derivatives as PAF antagonists FUJISAWA PHARMACEUTICAL CO (JP) 1999-02-03 CN disclosed
CN-1168675-A Novel compounds FUJISAWA PHARMACEUTICAL CO (JP) 1997-12-24 CN disclosed
EP-0788511-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-13 EP disclosed
WO-1996011210-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-18 WO disclosed
CN-1116847-A N- (3-piperidinylcarbonyl) -beta-aminopropionic acid derivatives as PAF antagonists FUJISAWA PHARMACEUTICAL CO (JP) 1996-02-14 CN disclosed
US-4310517-A Tumor-resolving and histolytic medicaments and their use TROPONWERKE GMBH & CO., KG (DE) 1982-01-12 US disclosed