SCHEMBL6140430

SCHEMBL6140430

OB(O)OC(c1ccccc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.65
TDO2 P48775 3/20 0.65
ACP3 P15309 3/20 0.51
PNMT P11086 1/20 0.47
MGLL Q99685 1/20 0.46
CES2 O00748 1/20 0.44
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
XBP1 P17861 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
S1PR3 Q99500 1/20 0.43
OPRM1 P35372 3/20 0.42
OPRD1 P41143 3/20 0.42
OPRK1 P41145 3/20 0.42
OPRL1 P41146 3/20 0.42
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL28297702 0.78 IDO1 (0.43) IDO1TDO2TSHR
SCHEMBL9293034 0.76 IDO1 (0.58) IDO1TDO2ACP3PNMTCES2
Ammonia Solution, Strong SCHEMBL10334616 0.75 IDO1 (0.57) IDO1TDO2ACP3PNMTCES2
SCHEMBL4135655 0.74 PNMT (0.59) IDO1TDO2ACP3PNMTCES2
SCHEMBL10334601 0.74 IDO1 (0.56) IDO1TDO2ACP3PNMTCES2
SCHEMBL14648282 0.74 IDO1 (0.56) IDO1TDO2ACP3PNMTCES2
SCHEMBL10334580 0.74 IDO1 (0.59) IDO1TDO2ACP3PNMTCES2
SCHEMBL13357679 0.73 IDO1 (0.59) IDO1TDO2ACP3PNMTCES2
SCHEMBL7466690 0.73 IDO1 (0.55) IDO1TDO2ACP3PNMTCES2
SCHEMBL23021670 0.73 PNMT (0.57) IDO1TDO2ACP3PNMTCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1492757-A1 (2-((2-ALKOXY)-PHENYL)-CYCLOPENT-1-ENYL) AROMATIC CARBO- AND HETEROCYCLIC CARBOXYLIC ACID AND DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-01-05 EP disclosed
WO-2003084917-A1 (2-((2-ALKOXY) -PHENYL) -CYCLOPENT-1-ENYL) AROMATIC CARBO AND HETEROCYCLIC ACID AND DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-10-16 WO disclosed