Sugi Predict

Sugi Predict / Compounds / SCHEMBL7787702

SCHEMBL7787702

SCHEMBL7787702

CC(NC(c1ccc(F)cc1)c1cccc(Nc2c(OC(C)(C)C)c(=O)c2=O)c1)c1cc(F)c(F)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 14/20 0.36
▸ MAPK14 Q16539 1/20 0.35
▸ POLB P06746 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL7784913 1.00 MAPKAPK2 (0.36) MAPKAPK2MAPK14POLBMEN1KMT2A
SCHEMBL7785012 0.93 S1PR3 (0.35) MAPKAPK2MAPK14POLB
SCHEMBL7788883 0.93 S1PR3 (0.35) MAPKAPK2MAPK14POLB
SCHEMBL7787795 0.93 MAPKAPK2 (0.36) MAPKAPK2MAPK14POLBMEN1KMT2A
SCHEMBL7787734 0.93 MAPKAPK2 (0.36) MAPKAPK2MAPK14POLBMEN1KMT2A
SCHEMBL7780520 0.93 MAPKAPK2 (0.38) MAPKAPK2MAPK14POLBMEN1KMT2A
SCHEMBL7787592 0.92 KMT2A (0.38) MAPKAPK2MAPK14POLBMEN1KMT2A
SCHEMBL7785532 0.92 KMT2A (0.38) MAPKAPK2MAPK14POLBMEN1KMT2A
SCHEMBL7785039 0.92 MAPKAPK2 (0.43) MAPKAPK2MAPK14POLBMEN1KMT2A
SCHEMBL7785265 0.91 MAPKAPK2 (0.41) MAPKAPK2MAPK14POLBMEN1KMT2A

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