SCHEMBL17613380

SCHEMBL17613380

Cc1cc(C)c(C)c([S+]([O-])Nc2ccc(-c3cc(C(=O)O)ccc3F)c3ccccc23)c1C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 1/20 0.37
▸ PTGFR P43088 11/20 0.37
▸ CYP3A4 P08684 2/20 0.36
▸ AKR1C4 P17516 1/20 0.35
▸ AKR1C3 P42330 1/20 0.35
▸ AKR1C2 P52895 1/20 0.35
▸ AKR1C1 Q04828 1/20 0.35
▸ FABP4 P15090 2/20 0.35
▸ EP300 Q09472 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ TTR P02766 1/20 0.34
▸ FABP5 Q01469 1/20 0.34

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
SCHEMBL17613344 0.82 FABP4 (0.41) FABP4FABP5
SCHEMBL17613334 0.82 TTR (0.35) PTGER1PTGFREP300CREBBPRORC
SCHEMBL17599370 0.79 ALDH1A1 (0.53) FABP4MEN1KMT2AFABP5
SCHEMBL17613349 0.76 SLC6A4 (0.36) FABP4MEN1KMT2AFABP5
SCHEMBL17613338 0.71 NR1H4 (0.41) PTGER1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL17613384 0.71 NR1H4 (0.45) AKR1C4AKR1C3AKR1C2AKR1C1FABP4
SCHEMBL17613328 0.71 NR1H4 (0.39) PTGFRAKR1C3AKR1C2
SCHEMBL17599333 0.70 PTK2B (0.52) FABP4MEN1KMT2AFABP5
SCHEMBL17599384 0.69 PTK2B (0.53) FABP4MEN1KMT2AFABP5
SCHEMBL17613335 0.69 ABCG2 (0.37) AKR1C4AKR1C3AKR1C2AKR1C1

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
EP-2998294-A1 Naphthyl sulfonamide phenyl derivatives as KEAP-1 modulators for the treatment of diabetes, obesity, dyslipidemia and related disorders SANOFI (FR) 2016-03-23 — — EP disclosed
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