SCHEMBL7326771

SCHEMBL7326771

COc1ccccc1COc1cccc2c(=O)cc(N3CCOCC3)oc12

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 10/20 0.82
PRKDC P78527 9/20 0.76
PIK3R1 P27986 2/20 0.54
PIK3CA P42336 2/20 0.54
MTOR P42345 2/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
PIK3CD O00329 1/20 0.54
PDE2A O00408 1/20 0.54
PIK3C2A O00443 1/20 0.54
PIK3R2 O00459 1/20 0.54
PIK3C2B O00750 1/20 0.54
BRD4 O60885 1/20 0.54
PDE5A O76074 1/20 0.54
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
PIM1 P11309 1/20 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
SCHEMBL7327455 0.90 P2RY12 (1.00) P2RY12PRKDC
SCHEMBL7326734 0.89 P2RY12 (0.82) P2RY12PRKDCPIK3R1PIK3CAMTOR
SCHEMBL3542889 0.87 PRKDC (1.00) P2RY12PRKDCPIK3R1PIK3CAMTOR
SCHEMBL910153 0.85 PRKDC (0.84) P2RY12PRKDCPIK3R1PIK3CAMTOR
SCHEMBL7328209 0.85 P2RY12 (0.77) P2RY12PRKDCPIK3CD
SCHEMBL7320699 0.84 PRKDC (0.70) P2RY12PRKDC
SCHEMBL7327041 0.82 PRKDC (0.70) P2RY12PRKDC
SCHEMBL3542044 0.82 PRKDC (0.84) P2RY12PRKDCPIK3R1PIK3CAMTOR
SCHEMBL7320092 0.81 P2RY12 (1.00) P2RY12
SCHEMBL7318138 0.81 PRKDC (0.77) P2RY12PRKDCPIK3CG

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 4 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