SCHEMBL9943229

SCHEMBL9943229

CCC(CC)CC1(C(=O)Nc2ccccc2S)CCCCC1.Nc1ccccc1S

nearest known ligand 0.87

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CETP P11597 15/20 0.87
MME P08473 4/20 0.39
MDM4 O15151 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL18602182 0.93 CETP (1.00) CETPMMEMDM4TP53
SCHEMBL527973 0.93 CETP (1.00) CETPMMEMDM4TP53
SCHEMBL29352140 0.93 CETP (1.00) CETPMMEMDM4TP53
Hydrogen Sulfide SCHEMBL28096222 0.92 CETP (0.97) CETPMMEMDM4TP53
SCHEMBL9971635 0.83 CETP (0.72) CETP
SCHEMBL14408429 0.81 CETP (0.77) CETPTP53
SCHEMBL21252687 0.81 CETP (0.76) CETPMME
SCHEMBL2490285 0.81 CETP (0.77) CETPMME
SCHEMBL528151 0.81 CETP (0.77) CETPMMEMDM4TP53
SCHEMBL529244 0.81 CETP (1.00) CETPMMEMDM4TP53

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
EP-2651882-A1 PROCESS FOR THE PREPARATION OF AROMATIC THIOL DERIVATIVES BY HYDROGENATION OF DISULFIDES F.HOFFMANN-LA ROCHE AG (CH) 2013-10-23 EP disclosed
WO-2012080178-A1 PROCESS FOR THE PREPARATION OF AROMATIC THIOL DERIVATIVES BY HYDROGENATION OF DISULFIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 WO disclosed