SCHEMBL8799538

SCHEMBL8799538

Cc1c(OC(C)OCc2ccccc2)ccc2c(=O)cc(N3CCOCC3)oc12

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 19/20 0.76
PRKDC P78527 1/20 0.56

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
SCHEMBL7326740 0.86 P2RY12 (1.00) P2RY12PRKDC
SCHEMBL9755552 0.85 P2RY12 (0.77) P2RY12
SCHEMBL8799531 0.82 P2RY12 (0.84) P2RY12
SCHEMBL7328869 0.81 P2RY12 (0.81) P2RY12
SCHEMBL13752243 0.79 P2RY12 (0.73) P2RY12
SCHEMBL7320050 0.79 P2RY12 (0.85) P2RY12PRKDC
SCHEMBL7316746 0.79 P2RY12 (0.85) P2RY12PRKDC
SCHEMBL7330070 0.78 P2RY12 (0.84) P2RY12PRKDC
SCHEMBL7320123 0.78 P2RY12 (0.71) P2RY12PRKDC
SCHEMBL8881553 0.78 P2RY12 (0.79) P2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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