SCHEMBL6719336

SCHEMBL6719336

CCCCCCCCCCC#Cc1cccc(CC(NC(=O)C(=O)O)c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGES O14684 4/20 0.42
FAAH O00519 1/20 0.39
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
AKR1C3 P42330 1/20 0.38
PTPN1 P18031 1/20 0.37
CNR2 P34972 1/20 0.36
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C9 P11712 3/20 0.35
TSHR P16473 3/20 0.35
CYP2C19 P33261 3/20 0.35
GPR139 Q6DWJ6 1/20 0.35
MMP2 P08253 1/20 0.35
MMP12 P39900 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
PPARD Q03181 1/20 0.35

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
SCHEMBL1851806 0.89 FFAR1 (0.50) FFAR1FFAR4CYP1A2CYP2C9MMP2
SCHEMBL6023224 0.79 CYSLTR2 (0.38) FFAR1FFAR4CNR2CYP1A2CYP3A4
SCHEMBL4966603 0.79 PLK1 (0.43) PTGESFAAHFFAR1FFAR4
SCHEMBL1853461 0.77 PTGES (0.43) PTGESFFAR1FFAR4AKR1C3MMP2
SCHEMBL4978882 0.77 PLK1 (0.47) FAAHCYP1A2CYP2C9SMN1; SMN2PPARA
SCHEMBL4981880 0.76 ACACB (0.42) PTGESFFAR1CYP1A2CYP3A4CYP2C9
SCHEMBL1853105 0.76 PTGES (0.52) PTGESFFAR1FFAR4AKR1C3MMP2
SCHEMBL1852713 0.75 ACACB (0.51) FAAH
SCHEMBL10801717 0.75 FFAR1 (0.51) PTGESFFAR1FFAR4MMP2MMP12
SCHEMBL1855040 0.74 SCN8A (0.40) PTGESFAAHFFAR1FFAR4CYP1A2

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-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP claimed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO claimed