SCHEMBL7789329

SCHEMBL7789329

COc1ccc(C(NC(C)c2cccc3ccccc23)c2cccc(Nc3c(O)c(=O)c3=O)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
GAA P10253 3/20 0.40
KDM4E B2RXH2 3/20 0.40
GLA P06280 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.39
RCE1 Q9Y256 1/20 0.39
MAPKAPK2 P49137 1/20 0.38
CDC25B P30305 2/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
KRAS P01116 1/20 0.38
ABCG2 Q9UNQ0 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 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
SCHEMBL7789161 1.00 MEN1 (0.40) MEN1KMT2AGAAKDM4EGLA
SCHEMBL7789338 0.92 RCE1 (0.45) ALDH1A1RCE1MAPKAPK2CDC25BLMNA
Hydrochloric Acid SCHEMBL7780764 0.91 RCE1 (0.47) MEN1KMT2AALDH1A1POLBRCE1
SCHEMBL7780400 0.89 RCE1 (0.40) ALDH1A1RCE1MAPKAPK2
SCHEMBL7787509 0.89 RCE1 (0.40) ALDH1A1RCE1MAPKAPK2
Hydrochloric Acid SCHEMBL7785684 0.89 RCE1 (0.42) ALDH1A1RCE1
SCHEMBL7780580 0.89 RCE1 (0.40) MEN1KMT2AALDH1A1MAPTRCE1
Hydrochloric Acid SCHEMBL7785319 0.88 RCE1 (0.41) MEN1KMT2AALDH1A1MAPTRCE1
Hydrochloric Acid SCHEMBL7787883 0.88 RCE1 (0.41) ALDH1A1RCE1MAPKAPK2
SCHEMBL7787895 0.88 MEN1 (0.41) MEN1KMT2AGAAKDM4EGLA

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 3 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 claimed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP claimed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed