SCHEMBL31496762

SCHEMBL31496762

Cc1ccc(C(=O)O)c(N[S@+]([O-])C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLCN2 P51788 1/20 0.44
▸ ACLY P53396 1/20 0.44
▸ GRIK1 P39086 1/20 0.42
▸ CSNK2A1 P68400 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PLK1 P53350 6/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40
▸ NR1H4 Q96RI1 1/20 0.39
▸ PLK3 Q9H4B4 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ METAP2 P50579 2/20 0.38
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MCL1 Q07820 1/20 0.37

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
SCHEMBL31496746 0.88 MEN1 (0.48) CSNK2A1ALDH1A1PLK1AKR1C3AKR1C2
SCHEMBL31496755 0.80 FABP4 (0.45) CLCN2ALDH1A1HPGDHSD17B10AKR1C3
SCHEMBL31496757 0.78 MAPT (0.53) GRIK1ALDH1A1HPGDHSD17B10AKR1C3
SCHEMBL16421199 0.73 CLCN2 (0.53) CLCN2ACLYGRIK1CSNK2A1ALDH1A1
SCHEMBL23877482 0.72 KDM1A (0.51) GRIK1ALDH1A1HPGDHSD17B10PLK1
SCHEMBL3924089 0.72 CLCN2 (0.51) CLCN2ACLYGRIK1CSNK2A1ALDH1A1
SCHEMBL6891543 0.70 KMT2A (0.55) CLCN2ACLYGRIK1CSNK2A1ALDH1A1
Hydrochloric Acid SCHEMBL11604663 0.70 CLCN2 (0.50) CLCN2ACLYGRIK1CSNK2A1ALDH1A1
SCHEMBL31496763 0.70 KDM4E (0.45) ALDH1A1HPGDHSD17B10AKR1C3AKR1C2
SCHEMBL9592992 0.69 AKR1C3 (0.72) CLCN2ACLYAKR1C3AKR1C2GFER

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
CN-119661407-A Chiral sulfinamide carboxylic acid compound, and synthetic method and application thereof 浙江大学 2025-03-21 — — CN disclosed
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