SCHEMBL8042848

SCHEMBL8042848

COc1ccc(S(=O)(=O)N(CC(=O)O)C2CCSC2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 16/20 0.55
NFE2L2 Q16236 15/20 0.55
KCNA5 P22460 1/20 0.45
TAS2R14 Q9NYV8 1/20 0.45
AVPR1B P47901 1/20 0.44
MEP1B Q16820 1/20 0.44

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
SCHEMBL7053920 0.84 AVPR1B (0.43) KEAP1NFE2L2KCNA5TAS2R14AVPR1B
SCHEMBL7342866 0.77 CNR1 (0.60) KEAP1NFE2L2KCNA5AVPR1B
SCHEMBL8042851 0.76 KEAP1 (0.52) KEAP1NFE2L2KCNA5TAS2R14
SCHEMBL7359705 0.76 KEAP1 (0.56) KEAP1NFE2L2KCNA5AVPR1BMEP1B
SCHEMBL3503903 0.72 KEAP1 (0.76) KEAP1NFE2L2TAS2R14MEP1B
SCHEMBL1629060 0.72 KEAP1 (1.00) KEAP1NFE2L2
SCHEMBL7158517 0.70 MCL1 (0.46)
SCHEMBL7004297 0.70 KEAP1 (0.89) KEAP1NFE2L2
SCHEMBL10978183 0.68 ATM (0.41)
SCHEMBL7349521 0.68 CNR1 (0.47) KEAP1NFE2L2KCNA5AVPR1B

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
US-6063816-A Hydroxamic acid compounds ADIR ET COMPAGNIE (FR) 2000-05-16 US disclosed