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SCHEMBL8107838

SCHEMBL8107838

Nc1cc(C(=O)CCC(=O)O)[c]cc1S(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ NR4A2 P43354 1/20 0.32

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
SCHEMBL8091295 0.87 CA2 (0.31) ALDH1A1CASP1CASP7HSD17B10TDP1
SCHEMBL8101728 0.85 — —
SCHEMBL8107841 0.73 ALDH1A1 (0.33) ALDH1A1CASP1CASP7HSD17B10TDP1
SCHEMBL8091297 0.73 ALDH1A1 (0.31) ALDH1A1CASP1CASP7HSD17B10TDP1
SCHEMBL8101732 0.72 ALDH1A1 (0.30) ALDH1A1CASP1CASP7HSD17B10TDP1
SCHEMBL2214202 0.70 TTR (0.37) ALDH1A1CASP1CASP7HSD17B10TDP1
SCHEMBL4409480 0.70 TTR (0.37) ALDH1A1CASP1CASP7HSD17B10TDP1
SCHEMBL28754366 0.67 CA12 (0.37) ALDH1A1CASP1CASP7HSD17B10TDP1
SCHEMBL8091760 0.65 NT5E (0.35) ALDH1A1CASP1CASP7HSD17B10TDP1
SCHEMBL8107596 0.64 ATM (0.39) ALDH1A1HSD17B10TDP1

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-0992546-A1 Mixtures of water soluble reactive azo dyes, process to manufacture them and their use DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2000-04-12 — — EP disclosed