SCHEMBL7789136

SCHEMBL7789136

COc1ccc(C(NC(C)c2ccccc2)c2cccc(Nc3c(O)c(=O)c3=O)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 4/20 0.46
ACP3 P15309 2/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 4/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
GSK3B P49841 2/20 0.38
KCNK9 Q9NPC2 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
EGFR P00533 1/20 0.38

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
SCHEMBL7780673 1.00 MAPKAPK2 (0.46) MAPKAPK2ACP3KMT2AMEN1POLB
Hydrochloric Acid SCHEMBL7787875 0.97 MEN1 (0.45) MAPKAPK2ACP3KMT2AMEN1POLB
Hydrochloric Acid SCHEMBL7785581 0.93 MEN1 (0.42) MAPKAPK2ACP3KMT2AMEN1POLB
Hydrochloric Acid SCHEMBL7785142 0.92 KMT2A (0.44) MAPKAPK2ACP3KMT2AMEN1POLB
SCHEMBL7787895 0.92 MEN1 (0.41) MAPKAPK2ACP3KMT2AMEN1POLB
Hydrochloric Acid SCHEMBL7780320 0.92 POLB (0.48) MAPKAPK2ACP3KMT2AMEN1POLB
SCHEMBL7785092 0.91 MAPKAPK2 (0.45) MAPKAPK2GSK3BCYP3A4
SCHEMBL7789354 0.91 MAPKAPK2 (0.45) MAPKAPK2GSK3BCYP3A4
SCHEMBL7785088 0.90 ALDH1A1 (0.41) MAPKAPK2ACP3KMT2AMEN1POLB
SCHEMBL7789345 0.90 ALDH1A1 (0.46) MAPKAPK2ACP3KMT2AMEN1POLB

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