SCHEMBL2878243

SCHEMBL2878243

COC(=O)Oc1ccc(-c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 16/20 0.56
EPHX2 P34913 1/20 0.56
STING1 Q86WV6 1/20 0.51
P2RY2 P41231 1/20 0.50
P2RY14 Q15391 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
KIT P10721 1/20 0.50
KDR P35968 1/20 0.50
FLT3 P36888 1/20 0.50

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
SCHEMBL2877898 0.91 EPHX2 (0.68) P2RY1EPHX2STING1P2RY14CA12
SCHEMBL2877421 0.90 NPC1 (0.60) P2RY1EPHX2STING1CA12CA1
SCHEMBL2878683 0.89 P2RY1 (0.52) P2RY1EPHX2STING1
SCHEMBL2878559 0.88 MAPT (0.59) P2RY1EPHX2STING1CA12CA1
SCHEMBL14640383 0.87 EPHX2 (0.59) P2RY1EPHX2STING1P2RY2P2RY14
SCHEMBL2872551 0.87 EPHX2 (0.62) P2RY1EPHX2STING1CA12CA1
SCHEMBL2875049 0.85 P2RY1 (0.57) P2RY1EPHX2STING1P2RY2P2RY14
SCHEMBL2875822 0.85 P2RY1 (0.60) P2RY1EPHX2STING1P2RY14CA12
SCHEMBL2875876 0.85 EPHX2 (0.62) P2RY1EPHX2STING1P2RY2P2RY14
SCHEMBL2877993 0.85 EPHX2 (0.59) P2RY1EPHX2STING1CA12CA1

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-1899299-B1 C-LINKED CYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-10-20 EP claimed