SCHEMBL7328209

SCHEMBL7328209

COc1ccc(COc2cccc3c(=O)cc(N4CCOCC4)oc23)cc1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 7/20 0.77
PRKDC P78527 13/20 0.71
PIK3CD O00329 1/20 0.57
XRCC6 P12956 1/20 0.57
XRCC5 P13010 1/20 0.57

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
SCHEMBL7320699 0.91 PRKDC (0.70) P2RY12PRKDC
SCHEMBL7324488 0.91 PRKDC (0.67) P2RY12PRKDC
SCHEMBL7318138 0.90 PRKDC (0.77) P2RY12PRKDC
SCHEMBL7327041 0.90 PRKDC (0.70) P2RY12PRKDC
SCHEMBL910153 0.89 PRKDC (0.84) P2RY12PRKDCPIK3CD
SCHEMBL7319771 0.88 PRKDC (0.70) P2RY12PRKDCPIK3CD
SCHEMBL7327201 0.87 PRKDC (0.67) P2RY12PRKDC
SCHEMBL7324227 0.87 P2RY12 (1.00) P2RY12
SCHEMBL7320821 0.87 PRKDC (0.67) P2RY12PRKDCPIK3CD
SCHEMBL7326771 0.85 P2RY12 (0.82) P2RY12PRKDCPIK3CD

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 6 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-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 disclosed
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 disclosed