SCHEMBL7785160

SCHEMBL7785160

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 8/20 0.46
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AOC3 Q16853 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
FAAH O00519 1/20 0.38
LMNA P02545 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
SCHEMBL7785061 0.91 KMT2A (0.44) ADRB3KMT2AMEN1POLBTDP1
SCHEMBL7785275 0.89 ADRB3 (0.46) ADRB3KMT2AMEN1POLBTDP1
SCHEMBL7784885 0.89 KMT2A (0.43) ADRB3KMT2AMEN1POLBTDP1
SCHEMBL7780087 0.85 KMT2A (0.45) KMT2AMEN1POLBTDP1ALDH1A1
SCHEMBL7789113 0.84 KMT2A (0.44) KMT2AMEN1POLBTDP1GAA
SCHEMBL7784907 0.83 SIGMAR1 (0.44) KMT2AMEN1POLBTDP1SMN1; SMN2
SCHEMBL7787169 0.81 ALDH1A1 (0.58) KMT2AMEN1POLBGAAALDH1A1
SCHEMBL7785313 0.80 GPR88 (0.49) KMT2AMEN1POLBGAAKDM4E
SCHEMBL7787621 0.80 KMT2A (0.43) ADRB3KMT2AMEN1POLBTDP1
SCHEMBL7780429 0.79 TDP1 (0.42) KMT2AMEN1POLBTDP1GAA

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