SCHEMBL11242979

SCHEMBL11242979

CC(CN)COCCCOCC(C)CN

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
SCN4A P35499 4/20 0.36
CYP3A4 P08684 1/20 0.36
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SPHK1 Q9NYA1 2/20 0.31
GABBR2 O75899 1/20 0.31
GABBR1 Q9UBS5 1/20 0.31
SPHK2 Q9NRA0 1/20 0.31
USP2 O75604 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
SCHEMBL11241758 0.95 HTT (0.47) HTTSCN4ACYP3A4HSD17B10ALDH1A1
SCHEMBL11242156 0.89 SCN4A (0.39) HTTSCN4ACYP3A4HSD17B10ALDH1A1
SCHEMBL12212746 0.88 HTT (0.52) HTTSCN4ACYP3A4HSD17B10ALDH1A1
SCHEMBL635567 0.86 CYP3A4 (0.44) HTTSCN4ACYP3A4
SCHEMBL26049246 0.84
SCHEMBL9629070 0.83 HTT (0.35) HTTSCN4ACYP3A4ALDH1A1SPHK1
SCHEMBL12190568 0.80 HTT (0.33) HTT
SCHEMBL11535497 0.78 SCN4A (0.33) HTTSCN4A
SCHEMBL16826803 0.78 CA2 (0.34) HTTSCN4A
SCHEMBL12972157 0.78 HTT (0.33) HTT

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-4328331-A Novel polyester-amides THE UPJOHN COMPANY (US) 1982-05-04 US disclosed