SCHEMBL7784990

SCHEMBL7784990

COc1ccc(C(N[C@H](C)c2cccc(OC)c2)c2cccc(Nc3c(OC(C)(C)C)c(=O)c3=O)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPKAPK2 P49137 5/20 0.43
CASR P41180 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.34
PLK1 P53350 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
MTNR1B P49286 1/20 0.33
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL7787598 0.95 MAPKAPK2 (0.43) POLBMEN1KMT2AMAPKAPK2LMNA
SCHEMBL7785121 0.93 MAPKAPK2 (0.46) POLBMEN1KMT2AMAPKAPK2LMNA
SCHEMBL7787635 0.92 MEN1 (0.38) POLBMEN1KMT2AMAPKAPK2CASR
SCHEMBL7784925 0.92 ALDH1A1 (0.41) POLBMEN1KMT2AMAPKAPK2SMN1; SMN2
SCHEMBL7785293 0.92 MAPKAPK2 (0.40) POLBMEN1KMT2AMAPKAPK2LMNA
SCHEMBL7780349 0.92 MEN1 (0.38) POLBMEN1KMT2AMAPKAPK2CASR
SCHEMBL7787745 0.92 MAPKAPK2 (0.41) POLBMEN1KMT2AMAPKAPK2RAPGEF4
SCHEMBL7785270 0.91 KMT2A (0.38) POLBMEN1KMT2AMAPKAPK2SMN1; SMN2
SCHEMBL7780305 0.91 KMT2A (0.38) POLBMEN1KMT2AMAPKAPK2SMN1; SMN2
SCHEMBL7787653 0.91 KMT2A (0.38) POLBMEN1KMT2AMAPKAPK2SMN1; SMN2

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