SCHEMBL6239486

SCHEMBL6239486

CC(=O)Oc1ccc(OCc2ccc(Cl)c(C(F)(F)F)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.56
IDO1 P14902 2/20 0.52
S1PR1 P21453 3/20 0.48
MAOB P27338 7/20 0.47
KDM4C Q9H3R0 1/20 0.45
MAOA P21397 4/20 0.45
PTGER1 P34995 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
SCN9A Q15858 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44

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
SCHEMBL6239485 0.83 PTGDR2 (0.66) PTGDR2IDO1S1PR1KDM4CMRGPRX4
SCHEMBL17352148 0.82 PPARG (0.50) SCN9APPARGPPARA
SCHEMBL5505912 0.81 IDO1 (0.60) PTGDR2IDO1S1PR1MAOBKDM4C
SCHEMBL1508483 0.76 FFAR1 (0.77) PPARG
SCHEMBL15018384 0.75 MRGPRX4 (0.60) MRGPRX4
SCHEMBL7026306 0.75 MAOB (0.74) MAOBMAOAPPARA
SCHEMBL21944901 0.75 IDO1 (0.56) PTGDR2IDO1S1PR1MAOBMRGPRX4
SCHEMBL6242376 0.74 SRD5A2 (0.71) MAOBMAOAMRGPRX4
SCHEMBL21945019 0.74 IDO1 (0.55) PTGDR2IDO1S1PR1MAOBKDM4C
SCHEMBL11229326 0.74 IDO1 (0.62) PTGDR2IDO1MAOBKDM4CPPARG

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
WO-2005009104-A2 BENZOIC AND PHENYL ACETIC ACID DERIVATIVES AS HNF-4 MODULATORS LIGAND PHARMACUETICALS INCORPORATED (US) 2005-02-03 WO claimed
WO-2005009104-A2 BENZOIC AND PHENYL ACETIC ACID DERIVATIVES AS HNF-4 MODULATORS LIGAND PHARMACUETICALS INCORPORATED (US) 2005-02-03 WO disclosed