SCHEMBL3731306

SCHEMBL3731306

CCCCOC(=O)N(Cc1cccc(-c2cc(C(F)(F)F)ccc2O)c1)Cc1nccs1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSA P10619 3/20 0.39
S1PR1 P21453 2/20 0.38
FFAR1 O14842 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
SLC2A1 P11166 2/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
CYP2D6 P10635 2/20 0.35
CACNA1B Q00975 1/20 0.35
KDM4E B2RXH2 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
NTRK1 P04629 2/20 0.35
LTB4R2 Q9NPC1 2/20 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
SCHEMBL3731304 0.92 CTSA (0.39) CTSAS1PR1FFAR1PTGDR2TRPM8
SCHEMBL1951055 0.88 PTGDR2 (0.51) CTSAFFAR1PTGDR2LTB4R2
SCHEMBL3666383 0.85 S1PR1 (0.43) S1PR1PTGDR2CYP2D6CACNA1BKDM4E
SCHEMBL3667571 0.82 MGLL (0.42) S1PR1PTGDR2CACNA1BKDM4ETHRA
SCHEMBL3665828 0.82 FSHR (0.38) S1PR1PTGDR2PPARGPPARACYP2D6
SCHEMBL3671421 0.81 GPBAR1 (0.41) CTSAPTGDR2TRPM8CYP2D6CACNA1B
SCHEMBL3666210 0.80 FSHR (0.40) S1PR1PTGDR2PPARGPPARACYP2D6
SCHEMBL3671417 0.80 GPBAR1 (0.41) CTSAPTGDR2TRPM8
SCHEMBL3670884 0.79 PTGDR2 (0.44) S1PR1PTGDR2KDM4ETHRATHRB
SCHEMBL3666381 0.77 S1PR1 (0.43) S1PR1PTGDR2CYP2D6CACNA1BKDM4E

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-2240434-A1 2-PHENYL PHENOXYACETIC ACIDS USEFUL FOR TREATING INFLAMMATORY DISORDERS Ligand Pharmaceuticals Inc. (US) 2010-10-20 EP disclosed
WO-2009089192-A1 2-PHENYL PHENOXYACETIC ACIDS USEFUL FOR TREATING INFLAMMATORY DISORDERS LIGAND PHARMACEUTICALS INC. (US) 2009-07-16 WO disclosed