SCHEMBL3671696

SCHEMBL3671696

CN(Cc1cccc(-c2cc(C(F)(F)F)ccc2[O])c1)S(=O)(=O)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.51
KMT2A Q03164 1/20 0.41
PTGER2 P43116 7/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
RORC P51449 1/20 0.40
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
ADAM17 P78536 1/20 0.40
SQLE Q14534 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
TSHR P16473 1/20 0.39
NR1H3 Q13133 1/20 0.39
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 1/20 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
SCHEMBL3671698 0.90 NAMPT (0.53) NAMPTKMT2APTGER2PTGS1PTGS2
SCHEMBL3668838 0.88 NR1H3 (0.51) NAMPTKMT2AALDH1A1HSD17B1HSD17B2
SCHEMBL1949604 0.83 PTGDR2 (0.60) NAMPTPTGER2
SCHEMBL3670285 0.79 TRPV4 (0.43) NAMPTKMT2AHSD17B1HSD17B2TSHR
SCHEMBL2773136 0.77 PTGDR2 (0.56) NAMPTPTGER2MMP1MMP9MMP13
SCHEMBL3668839 0.77 NR1H3 (0.53) NAMPTKMT2ARORCALDH1A1HSD17B1
SCHEMBL3669238 0.77 ALDH1A1 (0.47) NAMPTPTGER2PTGS1PTGS2RORC
SCHEMBL3669239 0.74 ALDH1A1 (0.46) NAMPTPTGER2PTGS1PTGS2RORC
SCHEMBL29642739 0.72 ALDH1A1 (0.62) NAMPTKMT2AALDH1A1NR1H3CYP11B1
SCHEMBL1946872 0.72 PTGDR2 (0.67) NR1H3

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