SCHEMBL19649326

SCHEMBL19649326

CNCCSSCCNC(=O)C[n+]1ccc(/C=C/c2ccc(N3CC(O)CC3C(=O)OC)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.35
▸ ANPEP P15144 1/20 0.35

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
SCHEMBL18774277 0.85 — —
SCHEMBL18774339 0.81 MMP2 (0.30) MMP2ANPEP
SCHEMBL21005635 0.81 MMP2 (0.30) MMP2ANPEP
SCHEMBL19649228 0.79 MMP2 (0.38) MMP2ANPEP
SCHEMBL15624282 0.79 — —
SCHEMBL19649229 0.78 — —
SCHEMBL14401942 0.78 PTGS2 (0.41) —
SCHEMBL13327503 0.76 HDAC3 (0.31) —
SCHEMBL3823380 0.75 WDR91 (0.35) —
SCHEMBL3823383 0.75 WDR91 (0.35) —

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-2677996-B1 COMPOSITION FOR DYEING KERATINOUS FIBRES COMPRISING A DIRECT DYE HAVING A DISULPHIDE/THIOL FUNCTIONAL GROUP, A THICKENING POLYMER, AN ETHOXYLATED FATTY ALCOHOL AND/OR A NONIONIC SURFACTANT, AN ALKALINE AGENT AND A REDUCING AGENT L'ORÉAL (FR) 2017-11-29 — — EP disclosed
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