SCHEMBL7787799

SCHEMBL7787799

Cc1ccc(C(N[C@H](C)c2cccc3ccccc23)c2cccc(Nc3c(OC(C)(C)C)c(=O)c3=O)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.35
MAPKAPK2 P49137 9/20 0.33
POLB P06746 1/20 0.32
PDE2A O00408 1/20 0.32
PTGER4 P35408 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
SCHEMBL7785002 0.95 MAPKAPK2 (0.36) MAPKAPK2
SCHEMBL7780418 0.92 MAPKAPK2 (0.36) MAPKAPK2POLBPTGER4
SCHEMBL7785671 0.92 IDH1 (0.35) S1PR3MAPKAPK2POLBPTGER4
SCHEMBL7780588 0.91 MAPKAPK2 (0.38) MAPKAPK2POLB
Hydrochloric Acid SCHEMBL7785684 0.84 RCE1 (0.42) S1PR3PDE2APTGER4
SCHEMBL7780368 0.83 MAPKAPK2 (0.43) MAPKAPK2POLB
SCHEMBL7780351 0.83 MAPKAPK2 (0.43) MAPKAPK2POLB
SCHEMBL7785641 0.83 MAPKAPK2 (0.36) S1PR3MAPKAPK2POLB
SCHEMBL7780392 0.83 MAPKAPK2 (0.40) S1PR3MAPKAPK2POLB
SCHEMBL7787745 0.83 MAPKAPK2 (0.41) S1PR3MAPKAPK2POLB

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