SCHEMBL7787698

SCHEMBL7787698

COc1ccc(C(NC(C)c2cc(F)cc(F)c2)c2cc(Nc3c(OC(C)(C)C)c(=O)c3=O)c(OC)c(OC)c2)cc1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL7785125 0.91 CXCR2 (0.32)
SCHEMBL7780331 0.89 ALDH1A1 (0.32) ALDH1A1LMNAGAA
SCHEMBL7795456 0.87 CXCR2 (0.35) ALDH1A1LMNAGAA
SCHEMBL7780384 0.86 CXCR2 (0.33)
SCHEMBL7780353 0.83 POLB (0.34) ALDH1A1LMNAGAA
SCHEMBL7787853 0.82 KMT2A (0.38) ALDH1A1LMNAGAA
SCHEMBL7784926 0.82 KMT2A (0.38) ALDH1A1LMNAGAA
SCHEMBL7785294 0.80 ALDH1A1 (0.31) ALDH1A1LMNAGAA
SCHEMBL7787494 0.79 KMT2A (0.38) ALDH1A1LMNAGAA
SCHEMBL7784925 0.77 ALDH1A1 (0.41) ALDH1A1LMNAGAA

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