SCHEMBL7327705

SCHEMBL7327705

CC(C)(C)NC(=O)COc1cccc2c(=O)cc(N3CCOCC3)oc12

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 16/20 0.62
P2RY12 Q9H244 4/20 0.58
PIK3CA P42336 3/20 0.52

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
SCHEMBL7328002 0.86 P2RY12 (0.76) PRKDCP2RY12PIK3CA
SCHEMBL7328250 0.85 PRKDC (0.68) PRKDCP2RY12PIK3CA
SCHEMBL7325265 0.83 PRKDC (0.57) PRKDCP2RY12PIK3CA
SCHEMBL7326495 0.82 PRKDC (0.57) PRKDCP2RY12PIK3CA
SCHEMBL3542889 0.78 PRKDC (1.00) PRKDCP2RY12PIK3CA
SCHEMBL7327201 0.78 PRKDC (0.67) PRKDCP2RY12
SCHEMBL7320821 0.77 PRKDC (0.67) PRKDCP2RY12PIK3CA
SCHEMBL3942585 0.77 P2RY12 (0.74) PRKDCP2RY12PIK3CA
SCHEMBL910153 0.77 PRKDC (0.84) PRKDCP2RY12PIK3CA
SCHEMBL7327041 0.76 PRKDC (0.70) PRKDCP2RY12

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