SCHEMBL7308152

SCHEMBL7308152

CCCOc1ccc(CCNC(=O)Cc2ccc(OCC)c(OCC)c2)cc1OCCC

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.56
KMT2A Q03164 4/20 0.55
LMNA P02545 3/20 0.55
ALDH1A1 P00352 1/20 0.55
MEN1 O00255 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL7306284 1.00 GAA (0.60) GAAL3MBTL1KMT2ALMNAALDH1A1
SCHEMBL11638911 0.94 GAA (0.66) GAAL3MBTL1KMT2ALMNAALDH1A1
SCHEMBL29463748 0.94 GAA (0.66) GAAL3MBTL1KMT2ALMNAALDH1A1
SCHEMBL29463727 0.94 GAA (0.66) GAAL3MBTL1KMT2ALMNAALDH1A1
SCHEMBL14985314 0.86 GAA (0.64) GAAL3MBTL1KMT2ALMNAALDH1A1
SCHEMBL7303003 0.84 GAA (0.59) GAAL3MBTL1KMT2ALMNAALDH1A1
SCHEMBL7312610 0.84 GAA (0.59) GAAL3MBTL1KMT2ALMNAALDH1A1
SCHEMBL14703854 0.84 L3MBTL1 (0.63) L3MBTL1KMT2ALMNAALDH1A1MEN1
SCHEMBL28619310 0.83 GAA (0.66) GAAL3MBTL1KMT2ALMNAALDH1A1
SCHEMBL16973505 0.83 KMT2A (0.54) GAAKMT2AALDH1A1MEN1HSD17B10

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-4442108-A SPASMOLYTIC, HYPOTENSIVE LABORATOIRES SOBIO S.A. OF IMMEUBLE PERISUD (FR) 1984-04-10 US disclosed