SCHEMBL15468633

SCHEMBL15468633

CCSC(CCS)CCCCC(=O)N=O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ GSTK1 Q9Y2Q3 2/20 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
SCHEMBL3665865 0.82 GSTK1 (0.46) GSTK1
SCHEMBL15468643 0.77 FOLH1 (0.38) —
SCHEMBL10308202 0.76 FOLH1 (0.55) GSTK1
SCHEMBL15468614 0.73 GSTK1 (0.37) GSTK1
SCHEMBL29325671 0.70 ALDH1A1 (0.33) —
SCHEMBL10307794 0.68 ALDH1A1 (0.53) GSTK1
SCHEMBL15150563 0.67 FOLH1 (0.50) GSTK1
SCHEMBL16199849 0.67 FOLH1 (0.50) GSTK1
SCHEMBL12230616 0.67 FFAR4 (0.44) —
SCHEMBL10307776 0.67 GSTK1 (0.52) GSTK1

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-2695614-A1 Lipoic acid derivatives Cornerstone Pharmaceuticals, Inc. (US) 2014-02-12 — — EP disclosed
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