SCHEMBL4033149

SCHEMBL4033149

CCCC(NC(=O)c1cc(OCCC(F)(F)F)c2ccccc2n1)Oc1ccc(C(N)=O)c(O)c1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 16/20 0.39
CDK2 P24941 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
GRM2 Q14416 1/20 0.34

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
SCHEMBL447746 0.85 P2RY12 (0.40) P2RY12
SCHEMBL5793386 0.85 P2RY12 (0.40) P2RY12
SCHEMBL447747 0.71 HDAC3 (0.40) P2RY12
SCHEMBL445438 0.71 P2RY12 (0.51) P2RY12
SCHEMBL4033054 0.70 LMNA (0.43) TAS1R3TAS1R1
SCHEMBL4255470 0.70 P2RY12 (0.39) P2RY12
SCHEMBL15202050 0.69 MAPT (0.47) TAS1R3TAS1R1
SCHEMBL446789 0.69 P2RY12 (0.41) P2RY12
SCHEMBL446790 0.69 P2RY12 (0.41) P2RY12
SCHEMBL4247839 0.68 P2RY12 (0.40) 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-1611088-B1 HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS INC (US) 2009-06-17 EP claimed