SCHEMBL17807263

SCHEMBL17807263

COc1ccc(CN2CC3(CC3)c3cccc(C(=O)NC4(c5ccc(C(=O)O)cc5)CC4)c32)cc1F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 16/20 0.43
PTGDR Q13258 2/20 0.43
TBXA2R P21731 1/20 0.43
PTGER1 P34995 1/20 0.43
PTGFR P43088 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEP1B Q16820 1/20 0.37
RAB9A P51151 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL17807184 0.94 PTGER4 (0.36) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL17807390 0.90 PTGER4 (0.46) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL17807266 0.90 PTGER4 (0.44) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL17807392 0.87 PTGER4 (0.46) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL17807284 0.87 PTGER4 (0.45) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL17807262 0.87 PTGER4 (0.49) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL17807393 0.86 PTGER4 (0.50) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL17807391 0.85 PTGER4 (0.46) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL17807238 0.85 PTGER4 (0.37) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL17807186 0.85 PTGER4 (0.43) PTGER4PTGDRTBXA2RPTGER1PTGFR

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
WO-2016088903-A1 HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-09 WO disclosed