SCHEMBL3668838

SCHEMBL3668838

CN(Cc1cccc(-c2cc(C(F)(F)F)ccc2[O])c1)S(=O)(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 2/20 0.51
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
NAMPT P43490 1/20 0.43
HDAC4 P56524 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 2/20 0.41
ADRB2 P07550 1/20 0.41
MAPT P10636 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CASP3 P42574 1/20 0.39
CXCR4 P61073 1/20 0.38
PTPN1 P18031 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
SCHEMBL3668839 0.88 NR1H3 (0.53) NR1H3HSD17B1HSD17B2NAMPTHDAC4
SCHEMBL3671696 0.88 NAMPT (0.51) NR1H3HSD17B1HSD17B2NAMPTALDH1A1
SCHEMBL1946872 0.82 PTGDR2 (0.67) NR1H3PTGDR2PTPN1
SCHEMBL3671609 0.78 MLYCD (0.52) HSD17B1HSD17B2HDAC4HDAC6KMT2A
SCHEMBL3671698 0.77 NAMPT (0.53) NR1H3HSD17B1HSD17B2NAMPTALDH1A1
SCHEMBL3666865 0.76 HDAC6 (0.56) HDAC6PTGDR2KMT2AMEN1
SCHEMBL3666874 0.76 ABHD6 (0.54) HSD17B2ALDH1A1PTGDR2KMT2AMEN1
SCHEMBL3668636 0.76 MTOR (0.64) KMT2AMEN1HTTMAPTTP53
SCHEMBL2772208 0.75 PTGDR2 (0.62) NR1H3PTGDR2
SCHEMBL987480 0.74 HSD17B1 (0.48) NR1H3HSD17B1HSD17B2NAMPTLMNA

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 4 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
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