SCHEMBL28905201

SCHEMBL28905201

COc1cc(OCc2ccccc2)c2ccoc2c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.49
MAOB P27338 3/20 0.48
MAOA P21397 1/20 0.48
PPARG P37231 1/20 0.47
F2RL3 Q96RI0 2/20 0.46
PIN1 Q13526 1/20 0.46
ABCB1 P08183 2/20 0.46
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
GSK3B P49841 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44

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
SCHEMBL29846180 1.00 KCNA3 (0.49) KCNA3MAOBMAOAPPARGF2RL3
SCHEMBL31359541 0.79 MAOB (0.47) KCNA3MAOBMAOAPIN1
SCHEMBL28434999 0.78 ABCB1 (0.47) MAOBPPARGF2RL3PIN1ABCB1
SCHEMBL31359519 0.78 HPGD (0.55) KCNA3MAOBMAOA
SCHEMBL31359542 0.77 MAOB (0.48) KCNA3MAOBMAOA
SCHEMBL31359523 0.77 MAOB (0.45) KCNA3MAOBMAOAPIN1
SCHEMBL31359539 0.77 MAOB (0.48) KCNA3MAOBMAOA
SCHEMBL27489226 0.77 MAOB (0.53) MAOBF2RL3ABCB1HTR1ADRD2
SCHEMBL3372411 0.76 MAOB (0.64) KCNA3MAOBMAOAHTR1ADRD2
SCHEMBL28108815 0.76 MAOB (0.59) MAOBPPARGABCB1HTR1ADRD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112074521-B Compounds as protease activated receptor 4(PAR4) inhibitors for the treatment of platelet aggregation 深圳信立泰药业股份有限公司 2022-08-09 CN disclosed
CN-112074521-A Compounds as protease activated receptor 4(PAR4) inhibitors for the treatment of platelet aggregation 深圳信立泰药业股份有限公司 2020-12-11 CN disclosed