SCHEMBL7569701

SCHEMBL7569701

Cc1cc(NC(=O)CS(=O)(=O)O)cc(C)c1Cc1ccc(O)c(S(=O)(=O)c2ccc(F)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
ACP1 P24666 5/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
KCNJ6 P48051 1/20 0.39
KCNJ5 P48544 1/20 0.39
KCNJ3 P48549 1/20 0.39
LMNA P02545 2/20 0.37
RXFP1 Q9HBX9 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
NAMPT P43490 2/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL6854588 0.79 MMP1 (0.46) GAALMNAALDH1A1TSHRL3MBTL1
SCHEMBL6854042 0.78 THRA (0.40) GAACA2ALDH1A1L3MBTL1
SCHEMBL6856728 0.77 PTGDR2 (0.38) GAALMNAALDH1A1L3MBTL1
SCHEMBL6852990 0.76 THRB (0.58) ALDH1A1
SCHEMBL6854271 0.75 PPARA (0.40) GAAALDH1A1
SCHEMBL1642319 0.71 THRA (0.59)
SCHEMBL1641960 0.70 THRA (0.48) GAATP53
SCHEMBL6735850 0.69 THRA (0.50) GAACA12CA1CA2CA9
SCHEMBL6735849 0.69 THRA (0.50) GAACA12CA1CA2CA9
SCHEMBL30285802 0.68 THRA (0.47) GAAALDH1A1L3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002090344-A1 AMIDO-DIPHENYL DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2002-11-14 WO disclosed