SCHEMBL7784983

SCHEMBL7784983

COc1ccc(C(NC(C)(C)c2ccccc2)c2cccc(N)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.46
GLA P06280 1/20 0.46
ALPI P09923 1/20 0.46
ALPG P10696 1/20 0.46
ALDH1A1 P00352 6/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 3/20 0.40
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 3/20 0.38
TP53 P04637 1/20 0.38
MEN1 O00255 2/20 0.38
KIF11 P52732 3/20 0.37
ACP3 P15309 1/20 0.37
PBRM1 Q86U86 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL7785476 0.80 MAPT (0.45) ALPLGLAALPIALPGALDH1A1
SCHEMBL7780316 0.78 ACP3 (0.49) ALDH1A1GAALMNACYP3A4TDP1
SCHEMBL7787942 0.77 TDP1 (0.49) ALDH1A1GAALMNACYP3A4TDP1
SCHEMBL7785051 0.75 ALPL (0.43) ALPLGLAALPIALPGALDH1A1
SCHEMBL7780342 0.75 KMT2A (0.54) ALPLALDH1A1LMNATDP1KMT2A
SCHEMBL7780357 0.75 TDP1 (0.47) ALDH1A1GAALMNACYP3A4TDP1
SCHEMBL7785233 0.75 AOC3 (0.52) ALDH1A1GAALMNATDP1KMT2A
SCHEMBL7784989 0.75 ACP3 (0.45) ALDH1A1GAALMNACYP3A4TDP1
SCHEMBL7785046 0.74 TDP1 (0.49) ALDH1A1GAATDP1KMT2AMEN1
SCHEMBL7787522 0.74 POLB (0.44) ALDH1A1GAALMNATDP1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed