SCHEMBL7784885

SCHEMBL7784885

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.43
MEN1 O00255 6/20 0.43
POLB P06746 3/20 0.43
TDP1 Q9NUW8 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
ADRB3 P13945 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
PKM P14618 1/20 0.35
TEAD4 Q15561 1/20 0.35
TP53 P04637 1/20 0.34
CYP3A4 P08684 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
SCHEMBL7785061 0.92 KMT2A (0.44) KMT2AMEN1POLBTDP1MAPKAPK2
SCHEMBL7780340 0.89 KMT2A (0.42) KMT2AMEN1POLBTDP1MAPKAPK2
SCHEMBL7785160 0.89 ADRB3 (0.46) KMT2AMEN1POLBTDP1ALDH1A1
SCHEMBL7780087 0.86 KMT2A (0.45) KMT2AMEN1POLBTDP1ALDH1A1
SCHEMBL7789113 0.85 KMT2A (0.44) KMT2AMEN1POLBTDP1ALDH1A1
SCHEMBL7784907 0.83 SIGMAR1 (0.44) KMT2AMEN1POLBTDP1ALDH1A1
SCHEMBL7780429 0.82 TDP1 (0.42) KMT2AMEN1POLBTDP1ALDH1A1
SCHEMBL7785313 0.81 GPR88 (0.49) KMT2AMEN1POLBMAPKAPK2ALDH1A1
SCHEMBL7787621 0.81 KMT2A (0.43) KMT2AMEN1POLBTDP1MAPKAPK2
SCHEMBL7787169 0.80 ALDH1A1 (0.58) KMT2AMEN1POLBALDH1A1LMNA

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