SCHEMBL21185510

SCHEMBL21185510

CCCN1C(=O)C(=C2Sc3c(O)ccc(O)c3S2)C(=O)N1CCC

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CISD1 Q9NZ45 2/20 0.33
▸ TYR P14679 1/20 0.32
▸ PDF Q9HBH1 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
SCHEMBL21185464 0.91 TYR (0.35) TYRPDF
SCHEMBL21185416 0.88 MGLL (0.39) —
SCHEMBL25200043 0.88 MGLL (0.39) —
SCHEMBL21185523 0.84 AURKA (0.31) —
SCHEMBL21185519 0.84 — —
SCHEMBL21185520 0.83 HSD17B3 (0.38) —
SCHEMBL21185518 0.79 — —
SCHEMBL21185511 0.79 GSK3A (0.41) —
SCHEMBL21185514 0.79 HSD17B3 (0.33) —
SCHEMBL21185517 0.76 HSD17B3 (0.36) —

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
WO-2019142538-A1 COMPOSITION, CURABLE COMPOSITION, AND COMPOUND 富士フイルム株式会社 2019-07-25 — — WO disclosed
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