SCHEMBL9972844

SCHEMBL9972844

CC1(C)CC(COC#N)CC(N=C=O)C1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL9974620 0.80 ALDH1A1 (0.42) ALDH1A1CYP3A4
SCHEMBL7753405 0.75 ALDH1A1 (0.50) ALDH1A1CYP3A4
SCHEMBL28834572 0.73 ALDH1A1 (0.42) ALDH1A1
SCHEMBL2777671 0.71 ALDH1A1 (0.31) ALDH1A1CYP3A4
SCHEMBL7133681 0.71 ALDH1A1 (0.60) ALDH1A1CYP3A4
SCHEMBL21547331 0.70 ALDH1A1 (0.37) ALDH1A1CYP3A4
SCHEMBL676571 0.69 ALDH1A1 (0.45) ALDH1A1CYP3A4
SCHEMBL19227370 0.69 ALDH1A1 (0.45) ALDH1A1CYP3A4
SCHEMBL92160 0.67 ALDH1A1 (0.34) ALDH1A1CYP3A4
SCHEMBL21547332 0.66 ACHE (0.35) ALDH1A1CYP3A4

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-RE43480-E1 Coated optical fiber and curable compositions suitable for coating optical fiber CORNING INCORPORATED (US) 2012-06-19 US disclosed