SCHEMBL3669238

SCHEMBL3669238

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
GPBAR1 Q8TDU6 9/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
TACR1 P25103 2/20 0.41
NAMPT P43490 1/20 0.41
MAPK1 P28482 1/20 0.39
RORC P51449 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
PTGER2 P43116 2/20 0.38

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
SCHEMBL3669239 0.89 ALDH1A1 (0.46) ALDH1A1GPBAR1PTGS1PTGS2TACR1
SCHEMBL3668571 0.78 GPBAR1 (0.52) GPBAR1TACR1
SCHEMBL3671696 0.77 NAMPT (0.51) ALDH1A1PTGS1PTGS2NAMPTRORC
SCHEMBL3671698 0.74 NAMPT (0.53) ALDH1A1PTGS1PTGS2NAMPTRORC
SCHEMBL29642739 0.71 ALDH1A1 (0.62) ALDH1A1NAMPTHPGDHTT
SCHEMBL1949604 0.71 PTGDR2 (0.60) NAMPTPTGER2
SCHEMBL3672556 0.70 TACR1 (0.55) GPBAR1TACR1
SCHEMBL3668574 0.68 GPBAR1 (0.52) GPBAR1TACR1
SCHEMBL3674357 0.68 MTOR (0.56) TACR1
SCHEMBL3665166 0.68 TACR1 (0.47) 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