SCHEMBL13532015

SCHEMBL13532015

CNC(C)COCCOCC(C)NC(=O)CNCC(C)=O

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL18211586 0.77 TDP1 (0.35)
SCHEMBL27309777 0.75 CES2 (0.41) ALDH1A1
SCHEMBL18556382 0.74 TDP1 (0.33)
SCHEMBL24954282 0.73 ALDH1A1 (0.35) ALDH1A1
SCHEMBL24954320 0.73 ALDH1A1 (0.35) ALDH1A1
SCHEMBL18623790 0.72 TDP1 (0.39)
SCHEMBL18211583 0.71 MTNR1A (0.39)
SCHEMBL17914312 0.70 HSD17B10 (0.33)
SCHEMBL24739063 0.69 HTR1D (0.37) ALDH1A1
SCHEMBL15905667 0.69 TDP1 (0.39)

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
US-7651681-B1 Method and compositions for in situ formation of protective and/or medicated films on body tissue Blairex Laboratories, Inc (US) 2010-01-26 US disclosed