SCHEMBL3671698

SCHEMBL3671698

CN(Cc1cccc(-c2cc(C(F)(F)F)ccc2O)c1)S(=O)(=O)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.53
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
PTGER2 P43116 7/20 0.42
RORC P51449 1/20 0.41
MMP1 P03956 2/20 0.41
MMP9 P14780 2/20 0.41
MMP13 P45452 2/20 0.41
ADAM17 P78536 2/20 0.41
KMT2A Q03164 1/20 0.41
NR1H3 Q13133 1/20 0.41
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
CKS1B P61024 1/20 0.39
SKP2 Q13309 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL3671696 0.90 NAMPT (0.51) NAMPTHSD17B1HSD17B2PTGER2RORC
SCHEMBL3668839 0.88 NR1H3 (0.53) NAMPTHSD17B1HSD17B2RORCKMT2A
SCHEMBL1949604 0.84 PTGDR2 (0.60) NAMPTPTGER2
SCHEMBL3670286 0.80 HSD17B1 (0.45) HSD17B1HSD17B2KMT2A
SCHEMBL987480 0.79 HSD17B1 (0.48) NAMPTHSD17B1HSD17B2RORCKMT2A
SCHEMBL2773136 0.78 PTGDR2 (0.56) NAMPTPTGER2MMP1MMP9MMP13
SCHEMBL3668838 0.77 NR1H3 (0.51) NAMPTHSD17B1HSD17B2KMT2ANR1H3
SCHEMBL3669239 0.77 ALDH1A1 (0.46) NAMPTPTGER2RORCNR1H3PTGS1
SCHEMBL5990332 0.74 CYP11B1 (0.51) PTGS1PTGS2CYP11B1CYP11B2
SCHEMBL3669238 0.74 ALDH1A1 (0.47) NAMPTPTGER2RORCPTGS1PTGS2

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