SCHEMBL7785233

SCHEMBL7785233

COc1ccc(C(NCC(O)c2ccccc2)c2cccc(N)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.52
ADRB3 P13945 3/20 0.50
TDP1 Q9NUW8 2/20 0.47
GAA P10253 3/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
FAAH O00519 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
ADRB2 P07550 5/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL7787942 0.90 TDP1 (0.49) AOC3ADRB3TDP1GAAKMT2A
SCHEMBL7780357 0.88 TDP1 (0.47) AOC3ADRB3TDP1GAAKMT2A
SCHEMBL7780342 0.82 KMT2A (0.54) TDP1SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL7787584 0.82 MEN1 (0.49) ADRB3TDP1GAAKDM4ESMN1; SMN2
SCHEMBL7785046 0.81 TDP1 (0.49) TDP1GAAKDM4ESMN1; SMN2KMT2A
SCHEMBL7785275 0.81 ADRB3 (0.46) AOC3ADRB3TDP1GAAKDM4E
SCHEMBL7789152 0.80 SIGMAR1 (0.53) TDP1GAAKDM4ESMN1; SMN2KMT2A
SCHEMBL7780316 0.78 ACP3 (0.49) TDP1GAAKMT2AMEN1ALDH1A1
SCHEMBL7785160 0.78 ADRB3 (0.46) AOC3ADRB3TDP1GAAKDM4E
Hydrochloric Acid SCHEMBL7787644 0.76 ALDH1A1 (0.67) GAAKMT2AMEN1ALDH1A1LMNA

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