SCHEMBL7787653

SCHEMBL7787653

COc1ccc(C(NC(C)c2ccc(F)c(F)c2)c2cccc(Nc3c(OC(C)(C)C)c(=O)c3=O)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
POLB P06746 2/20 0.38
MAPKAPK2 P49137 10/20 0.37
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPK14 Q16539 1/20 0.34
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 2/20 0.31
ACP3 P15309 2/20 0.31
TP53 P04637 1/20 0.31
ALPL P05186 1/20 0.31
GLA P06280 1/20 0.31
ALPI P09923 1/20 0.31
ALPG P10696 1/20 0.31
GFER P55789 1/20 0.31

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
SCHEMBL7785270 1.00 KMT2A (0.38) KMT2AMEN1POLBMAPKAPK2LMNA
SCHEMBL7780305 1.00 KMT2A (0.38) KMT2AMEN1POLBMAPKAPK2LMNA
SCHEMBL7785532 0.93 KMT2A (0.38) KMT2AMEN1POLBMAPKAPK2LMNA
SCHEMBL7787592 0.93 KMT2A (0.38) KMT2AMEN1POLBMAPKAPK2LMNA
SCHEMBL7787476 0.93 MAPKAPK2 (0.39) MAPKAPK2MAPK14
SCHEMBL7784925 0.92 ALDH1A1 (0.41) KMT2AMEN1POLBMAPKAPK2LMNA
SCHEMBL7787795 0.92 MAPKAPK2 (0.36) KMT2AMEN1POLBMAPKAPK2MAPK14
SCHEMBL7787734 0.92 MAPKAPK2 (0.36) KMT2AMEN1POLBMAPKAPK2MAPK14
SCHEMBL7780348 0.92 KMT2A (0.41) KMT2AMEN1POLBMAPKAPK2LMNA
SCHEMBL7787517 0.92 KMT2A (0.41) KMT2AMEN1POLBMAPKAPK2LMNA

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