SCHEMBL8882575

SCHEMBL8882575

O=c1cc(N2CCOCC2)oc2c(OCc3cccc(C(F)(F)F)c3)c(O)ccc12

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 4/20 0.53
PRKDC P78527 16/20 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
SCHEMBL8882760 0.88 P2RY12 (0.60) P2RY12PRKDC
SCHEMBL7327114 0.87 P2RY12 (0.68) P2RY12PRKDC
SCHEMBL7325263 0.85 PRKDC (0.66) P2RY12PRKDC
SCHEMBL8879731 0.84 P2RY12 (0.76) P2RY12
SCHEMBL7316901 0.81 PRKDC (0.78) P2RY12PRKDC
SCHEMBL7317545 0.78 PRKDC (0.55) P2RY12PRKDC
SCHEMBL910153 0.72 PRKDC (0.84) P2RY12PRKDC
SCHEMBL3942755 0.71 PRKDC (0.71) PRKDC
SCHEMBL7321868 0.71 PRKDC (0.62) P2RY12PRKDC
SCHEMBL7320782 0.70 P2RY12 (0.58) P2RY12PRKDC

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
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