SCHEMBL31496755

SCHEMBL31496755

CC(C)(C)[S@@+]([O-])Nc1ccccc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP4 P15090 2/20 0.45
▸ DHODH Q02127 1/20 0.44
▸ TRPM8 Q7Z2W7 1/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ AKR1C3 P42330 3/20 0.44
▸ CYP2C9 P11712 3/20 0.44
▸ AKR1B10 O60218 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ AKR1B1 P15121 2/20 0.44
▸ PTGS2 P35354 2/20 0.44
▸ AKR1C2 P52895 2/20 0.44
▸ AKR1C1 Q04828 2/20 0.44
▸ HIF1A Q16665 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ TRPA1 O75762 1/20 0.44
▸ ABCB11 O95342 1/20 0.44
▸ DHFR P00374 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
SCHEMBL31496757 0.81 MAPT (0.53) DHODHKMT2AMEN1AKR1C3AKR1C2
SCHEMBL31496746 0.80 MEN1 (0.48) FABP4DHODHKMT2AMEN1AKR1C3
SCHEMBL31496762 0.80 CLCN2 (0.44) KMT2AMEN1AKR1C3AKR1C2CLCN2
SCHEMBL31496763 0.76 KDM4E (0.45) FABP4KMT2AMEN1AKR1C3CYP2C9
SCHEMBL23877482 0.76 KDM1A (0.51) AKR1C3AKR1B1AKR1C2AKR1C1MPO
SCHEMBL13522745 0.76 FABP4 (0.47) FABP4DHODHKMT2AMEN1AKR1C3
SCHEMBL31496745 0.75 ALB (0.44) KMT2ACLCN2ALDH1A1HPGDHSD17B10
SCHEMBL1906473 0.73 CLCN2 (0.53) FABP4KMT2AMEN1AKR1C3CYP2C9
SCHEMBL31496758 0.71 PTPN2 (0.49) KMT2AMEN1LMNACYP3A4ALDH1A1
SCHEMBL31496772 0.71 ALDH1A1 (0.48) FABP4KMT2AMEN1AKR1C3CYP2C9

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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