SCHEMBL7328002

SCHEMBL7328002

COC(=O)COc1cccc2c(=O)cc(N3CCOCC3)oc12

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 7/20 0.76
PRKDC P78527 13/20 0.71
PIK3CA P42336 2/20 0.54

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
SCHEMBL7328250 0.88 PRKDC (0.68) P2RY12PRKDCPIK3CA
SCHEMBL7323997 0.87 P2RY12 (1.00) P2RY12
SCHEMBL7327705 0.86 PRKDC (0.62) P2RY12PRKDCPIK3CA
SCHEMBL3542889 0.83 PRKDC (1.00) P2RY12PRKDCPIK3CA
SCHEMBL7320821 0.82 PRKDC (0.67) P2RY12PRKDCPIK3CA
SCHEMBL7325265 0.82 PRKDC (0.57) P2RY12PRKDCPIK3CA
SCHEMBL7326495 0.82 PRKDC (0.57) P2RY12PRKDCPIK3CA
SCHEMBL7326771 0.80 P2RY12 (0.82) P2RY12PRKDCPIK3CA
SCHEMBL3942585 0.80 P2RY12 (0.74) P2RY12PRKDCPIK3CA
SCHEMBL910153 0.80 PRKDC (0.84) P2RY12PRKDCPIK3CA

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
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