SCHEMBL3671417

SCHEMBL3671417

CCCCOC(=O)N(Cc1nccs1)Cc1cc(C(F)(F)F)cc(-c2ccccc2)c1[O]

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 9/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
TACR1 P25103 2/20 0.35
CTSA P10619 2/20 0.35
CETP P11597 2/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TBXA2R P21731 1/20 0.34
PTGIR P43119 1/20 0.34
PTGDR Q13258 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FSHR P23945 1/20 0.34

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
SCHEMBL3671421 0.92 GPBAR1 (0.41) GPBAR1PTGDR2TRPM8TACR1CTSA
SCHEMBL3670312 0.84 FSHR (0.43) GPBAR1PTGDR2TACR1CETPCYP3A4
SCHEMBL3731304 0.81 CTSA (0.39) PTGDR2TRPM8CTSA
SCHEMBL3669056 0.81 TACR1 (0.43) GPBAR1PTGDR2TACR1
SCHEMBL3731306 0.80 CTSA (0.39) PTGDR2TRPM8CTSA
SCHEMBL3672250 0.79 PTGDR2 (0.42) GPBAR1PTGDR2TACR1CETP
SCHEMBL1951055 0.78 PTGDR2 (0.51) PTGDR2CTSA
SCHEMBL3670313 0.75 FSHR (0.41) GPBAR1PTGDR2TACR1CETPCYP3A4
SCHEMBL3669059 0.71 TACR1 (0.43) GPBAR1PTGDR2TACR1
SCHEMBL3672254 0.70 PTGDR2 (0.42) GPBAR1PTGDR2TACR1CETP

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 claimed
WO-2009089192-A1 2-PHENYL PHENOXYACETIC ACIDS USEFUL FOR TREATING INFLAMMATORY DISORDERS LIGAND PHARMACEUTICALS INC. (US) 2009-07-16 WO claimed