SCHEMBL7787629

SCHEMBL7787629

COc1ccc(C(NCC(O[Si](C)(C)C(C)(C)C)c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
TP53 P04637 2/20 0.42
TDP1 Q9NUW8 2/20 0.40
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NFE2L2 Q16236 1/20 0.38
FFAR1 O14842 1/20 0.38
HTT P42858 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL7787446 0.83 MAPT (0.52) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL7785114 0.81 SMN1; SMN2 (0.48) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL7787584 0.80 MEN1 (0.49) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL7785650 0.77 KMT2A (0.50) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL7780743 0.76 KMT2A (0.52) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL7785476 0.75 MAPT (0.45) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL7785132 0.75 SIGMAR1 (0.48) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL27540196 0.73 ACP3 (0.50) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL7785642 0.73 ACP3 (0.50) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL9181124 0.73 ADRB2 (0.39) SMN1; SMN2TDP1MAPK1NPSR1HTT

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