SCHEMBL5264076

SCHEMBL5264076

CC(C)(C)OC(=O)N(c1cc(OC[C@H]2CO2)ccc1OCc1ccccc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 8/20 0.40
NFE2L2 Q16236 7/20 0.40
FFAR1 O14842 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.37
F2 P00734 1/20 0.37
PKM P14618 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
ADAM17 P78536 1/20 0.36
APP P05067 1/20 0.35
GHSR Q92847 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
SCHEMBL3289538 1.00 KEAP1 (0.40) KEAP1NFE2L2FFAR1MEN1KMT2A
SCHEMBL3142767 0.92 MEN1 (0.40) FFAR1MEN1KMT2ALMNAPKM
SCHEMBL3142761 0.92 MEN1 (0.40) FFAR1MEN1KMT2ALMNAPKM
SCHEMBL5203422 0.92 MEN1 (0.40) FFAR1MEN1KMT2ALMNAPKM
SCHEMBL3287419 0.90 MEN1 (0.39) KEAP1NFE2L2FFAR1MEN1KMT2A
SCHEMBL5263054 0.90 MEN1 (0.39) KEAP1NFE2L2FFAR1MEN1KMT2A
SCHEMBL5679194 0.88 MEN1 (0.37) FFAR1MEN1KMT2AALDH1A1APP
SCHEMBL6552283 0.88 MEN1 (0.37) FFAR1MEN1KMT2AALDH1A1APP
SCHEMBL5209967 0.87 MEN1 (0.36) FFAR1MEN1KMT2AAPPGHSR
SCHEMBL3290077 0.87 MEN1 (0.36) FFAR1MEN1KMT2AAPPGHSR

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-1341753-B1 CYCLOHEXYL(ALKYL)-PROPANOLAMINES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2007-09-26 EP disclosed