SCHEMBL7785243

SCHEMBL7785243

COc1ccc(C(NCCC2CCCCC2)c2cccc(Nc3c(OC)c(=O)c3=O)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.41
KLK7 P49862 1/20 0.38
KLKB1 P03952 2/20 0.37
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
GALR2 O43603 3/20 0.36
GALR1 P47211 3/20 0.36
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
EPHX2 P34913 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
CTSK P43235 1/20 0.34

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
SCHEMBL7785626 0.90 MEN1 (0.41) MEN1KMT2APOLBKLK7KLKB1
SCHEMBL7780087 0.84 KMT2A (0.45) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL7785096 0.81 MEN1 (0.40) MEN1KMT2APOLBGALR2GALR1
SCHEMBL7787472 0.81 MEN1 (0.40) MEN1KMT2APOLBGALR2GALR1
SCHEMBL7789113 0.81 KMT2A (0.44) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL7785061 0.80 KMT2A (0.44) MEN1KMT2APOLBMAPKAPK2ALDH1A1
SCHEMBL7803820 0.80 RAB9A (0.45) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL7784907 0.80 SIGMAR1 (0.44) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL7785547 0.78 SLC6A4 (0.42) MEN1KMT2AKLK7CTSLCTSS
SCHEMBL7784885 0.78 KMT2A (0.43) MEN1KMT2APOLBMAPKAPK2ALDH1A1

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 disclosed
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed