SCHEMBL3669239

SCHEMBL3669239

CN(Cc1cc(C(F)(F)F)cc(-c2ccccc2)c1O)S(=O)(=O)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
GPBAR1 Q8TDU6 10/20 0.45
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
NAMPT P43490 1/20 0.42
RORC P51449 1/20 0.40
TACR1 P25103 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
NR1H3 Q13133 1/20 0.40
PTGER2 P43116 2/20 0.40

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
SCHEMBL3669238 0.89 ALDH1A1 (0.47) ALDH1A1GPBAR1PTGS1PTGS2NAMPT
SCHEMBL3668574 0.79 GPBAR1 (0.52) GPBAR1TACR1
SCHEMBL3671698 0.77 NAMPT (0.53) ALDH1A1PTGS1PTGS2NAMPTRORC
SCHEMBL3671696 0.74 NAMPT (0.51) ALDH1A1PTGS1PTGS2NAMPTRORC
SCHEMBL1949604 0.72 PTGDR2 (0.60) NAMPTPTGER2
SCHEMBL3672557 0.71 TACR1 (0.55) GPBAR1TACR1
SCHEMBL29642739 0.71 ALDH1A1 (0.62) ALDH1A1NAMPTCYP11B1NR1H3
SCHEMBL2773136 0.70 PTGDR2 (0.56) NAMPTPTGER2
SCHEMBL3668571 0.69 GPBAR1 (0.52) GPBAR1TACR1
SCHEMBL3665168 0.69 TACR1 (0.47) ALDH1A1GPBAR1TACR1

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