SCHEMBL7780384

SCHEMBL7780384

COc1cc(C(NC(C)c2ccc(F)c(F)c2)c2ccc(F)cc2)cc(Nc2c(OC(C)(C)C)c(=O)c2=O)c1OC

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 4/20 0.33
MAPKAPK2 P49137 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 0.94 CXCR2 (0.32) CXCR2
SCHEMBL7795386 0.87 CXCR2 (0.39) CXCR2MAPKAPK2
SCHEMBL7787698 0.86 ALDH1A1 (0.31)
SCHEMBL7785294 0.84 ALDH1A1 (0.31)
SCHEMBL7780518 0.83 MAPKAPK2 (0.34) MAPKAPK2
SCHEMBL7787494 0.83 KMT2A (0.38) CXCR2MAPKAPK2
SCHEMBL7804313 0.81 CXCR2 (0.38) CXCR2
SCHEMBL7787734 0.80 MAPKAPK2 (0.36) MAPKAPK2
SCHEMBL7787795 0.80 MAPKAPK2 (0.36) MAPKAPK2
SCHEMBL7780331 0.78 ALDH1A1 (0.32)

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