SCHEMBL7787474

SCHEMBL7787474

CCCOc1ccc(C(NC(C)c2cc(F)cc(F)c2)c2cccc(Nc3c(OC(C)(C)C)c(=O)c3=O)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 7/20 0.36
POLB P06746 1/20 0.34
CXCL12 P48061 1/20 0.33
LMNA P02545 1/20 0.33
MAPK14 Q16539 1/20 0.32
KLKB1 P03952 1/20 0.32
ACACB O00763 4/20 0.31
ACACA Q13085 2/20 0.31
ADAMTS5 Q9UNA0 1/20 0.31
GPR88 Q9GZN0 1/20 0.31
MAPT P10636 2/20 0.30
TP53 P04637 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL7780562 0.93 POLB (0.39) MAPKAPK2POLBLMNAMAPK14MAPT
SCHEMBL7787853 0.89 KMT2A (0.38) MAPKAPK2POLBLMNAMAPK14TP53
SCHEMBL7784926 0.89 KMT2A (0.38) MAPKAPK2POLBLMNAMAPK14TP53
SCHEMBL7780520 0.89 MAPKAPK2 (0.38) MAPKAPK2POLBMAPK14
SCHEMBL7785255 0.88 MAPKAPK2 (0.35) MAPKAPK2POLBMAPK14
SCHEMBL7780422 0.88 MAPKAPK2 (0.41) MAPKAPK2MAPK14
SCHEMBL7785641 0.87 MAPKAPK2 (0.36) MAPKAPK2POLBMAPK14
SCHEMBL7780413 0.86 MAPKAPK2 (0.35) MAPKAPK2POLBMAPK14
SCHEMBL7785106 0.86 MAPKAPK2 (0.35) MAPKAPK2POLBMAPK14
Hydrochloric Acid SCHEMBL7805381 0.86 CXCL12 (0.36) MAPKAPK2CXCL12LMNAKLKB1ACACB

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 2 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
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed