SCHEMBL18774339

SCHEMBL18774339

C=CC(/C=C/c1ccc(N2CC(O)CC2C(=O)O)cc1)=C\C=N\CC(=O)NCCSSCCNC(=O)C[n+]1ccc(/C=C/c2ccc(N3CC(O)CC3C(=O)OC)cc2)cc1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.30
▸ ANPEP P15144 1/20 0.30

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
SCHEMBL21005635 1.00 MMP2 (0.30) MMP2ANPEP
SCHEMBL19649019 0.85 MMP2 (0.32) MMP2ANPEP
SCHEMBL13799671 0.84 MMP2 (0.31) MMP2ANPEP
SCHEMBL19649248 0.82 — —
SCHEMBL13799703 0.82 — —
SCHEMBL13875544 0.82 HDAC3 (0.30) —
SCHEMBL19649326 0.81 MMP2 (0.35) MMP2ANPEP
SCHEMBL18774277 0.80 — —
SCHEMBL13695043 0.79 PTGS2 (0.36) —
SCHEMBL19649076 0.79 HDAC3 (0.33) —

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-2677995-B1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A DIRECT DYE BEARING A DISULFIDE/THIOL FUNCTION, A NONIONIC SURFACTANT, AN AMPHOTERIC SURFACTANT, AN ALKALINE AGENT AND A REDUCING AGENT L'ORÉAL (FR) 2017-04-26 — — EP disclosed
Send feedback