SCHEMBL19903986

SCHEMBL19903986

C=CC(/C=C/c1ccc(N2CCC(O)C2)cc1)=C\C=N\CC(=O)NC(CSSCC(NC(=O)C[n+]1ccc(/C=C/c2ccc(N3CCC(O)C3)cc2)cc1)C(=O)O)C(=O)O

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PHGDH O43175 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
SCHEMBL19649009 0.92 — —
SCHEMBL19649072 0.91 — —
SCHEMBL18774305 0.88 — —
SCHEMBL13327506 0.87 PHGDH (0.37) PHGDH
SCHEMBL13799703 0.85 — —
SCHEMBL19649019 0.85 MMP2 (0.32) —
SCHEMBL19649238 0.83 — —
SCHEMBL19903981 0.83 — —
SCHEMBL18774294 0.81 — —
SCHEMBL13875544 0.80 HDAC3 (0.30) —

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-2651374-B1 PROCESS FOR DYEING KERATIN FIBRES USING A DIRECT DYE BEARING A DISULFIDE/THIOL/PROTECTED THIOL FUNCTION AND WATER VAPOUR L'ORÉAL (FR) 2018-02-28 — — EP disclosed
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