SCHEMBL4745233

SCHEMBL4745233

CC(C)(C)[C@@H](CNC(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL859656 0.83 POLB (0.36) CYP2D6CYP2C19MEN1GAAKMT2A
SCHEMBL9951145 0.79 ANPEP (0.32) CYP2D6CYP2C19GAA
SCHEMBL29264747 0.78 MEN1 (0.53) CYP2D6MEN1GAAKMT2A
SCHEMBL2518639 0.78 MEN1 (0.53) CYP2D6MEN1GAAKMT2A
SCHEMBL19210480 0.76 CYP2D6 (0.48) CYP2D6CYP2C19MEN1GAAKMT2A
SCHEMBL860015 0.75 POLB (0.32)
SCHEMBL25001 0.74 CYP2D6 (0.52) CYP2D6CYP2C19
SCHEMBL2460635 0.74 CYP2D6 (0.52) CYP2D6CYP2C19
SCHEMBL18954482 0.74 PTGS1 (0.54)
SCHEMBL3899246 0.73 CYP2D6 (0.50) CYP2D6CYP2C19

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008104755-A1 SUCCINATE DERIVATIVES AND THEIR THERAPEUTIC USE SERENTIS LIMITED (GB) 2008-09-04 WO disclosed