SCHEMBL3668571

SCHEMBL3668571

CN(Cc1cc(C(F)(F)F)cc(-c2ccccc2)c1[O])C(=O)c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 12/20 0.52
TACR1 P25103 7/20 0.47
TRPV4 Q9HBA0 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
SCHEMBL3668574 0.90 GPBAR1 (0.52) GPBAR1TACR1TRPV4
SCHEMBL3672556 0.90 TACR1 (0.55) GPBAR1TACR1
SCHEMBL3672557 0.79 TACR1 (0.55) GPBAR1TACR1
SCHEMBL3669238 0.78 ALDH1A1 (0.47) GPBAR1TACR1
SCHEMBL3670285 0.77 TRPV4 (0.43) GPBAR1TACR1TRPV4
SCHEMBL3665166 0.76 TACR1 (0.47) GPBAR1TACR1
SCHEMBL3674357 0.76 MTOR (0.56) TACR1
SCHEMBL3669056 0.75 TACR1 (0.43) GPBAR1TACR1
SCHEMBL3670286 0.74 HSD17B1 (0.45) GPBAR1TACR1TRPV4
SCHEMBL3671389 0.73 TACR1 (0.43) GPBAR1TACR1

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