SCHEMBL7326772

SCHEMBL7326772

Cc1cccc2c(=O)c(OCc3ccccc3)c(N3CCOCC3)oc12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 3/20 0.48
PRKDC P78527 13/20 0.48
PIK3CG P48736 1/20 0.45
ATM Q13315 2/20 0.43
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
KCNA3 P22001 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL8883230 0.84 PRKDC (0.49) P2RY12PRKDCKCNA3
SCHEMBL3540173 0.83 PRKDC (0.50) P2RY12PRKDCPIK3CGATMALDH1A1
SCHEMBL8881292 0.81 PRKDC (0.47) P2RY12PRKDCALDH1A1HSD17B10KDM4E
SCHEMBL7324120 0.81 P2RY12 (0.56) P2RY12PRKDCPIK3CGATMKCNA3
SCHEMBL8881273 0.81 P2RY12 (0.54) P2RY12PRKDCALDH1A1KCNA3KDM4E
SCHEMBL8880452 0.81 P2RY12 (0.55) P2RY12PRKDCALDH1A1KDM4E
SCHEMBL8882570 0.81 MEN1 (0.50) P2RY12PRKDCALDH1A1KDM4E
SCHEMBL8883242 0.80 MEN1 (0.49) P2RY12PRKDC
SCHEMBL8881345 0.78 P2RY12 (0.42) P2RY12PRKDCPIK3CGATMALDH1A1
SCHEMBL8897756 0.78 P2RY12 (0.42) P2RY12PRKDCPIK3CGATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5703075-A Antiatherosclerotic and antithrombotic 1-benzopyran-4-ones and 2-amino-1,3-benzoxazine-4-ones PHARMACIA & UPJOHN COMPANY (US) 1997-12-30 US claimed
EP-0459983-A1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES PHARMACIA & UPJOHN COMPANY (US) 1991-12-11 EP claimed
WO-1990006921-A1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES THE UPJOHN COMPANY (US) 1990-06-28 WO claimed
US-5703075-A Antiatherosclerotic and antithrombotic 1-benzopyran-4-ones and 2-amino-1,3-benzoxazine-4-ones PHARMACIA & UPJOHN COMPANY (US) 1997-12-30 US disclosed
EP-0525123-B1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES UPJOHN CO (US) 1997-09-17 EP disclosed
EP-0525123-A1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES. UPJOHN CO (US) 1993-02-03 EP disclosed
WO-1991019707-A2 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES THE UPJOHN COMPANY (US) 1991-12-26 WO disclosed