SCHEMBL3821607

SCHEMBL3821607

Cc1cc(C)c(N(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)C(=O)O)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 3/20 0.41
FABP7 O15540 2/20 0.41
EPHX2 P34913 1/20 0.40
KMT2A Q03164 2/20 0.39
CASP3 P42574 2/20 0.39
MDM2 Q00987 1/20 0.37
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
SCHEMBL1905118 0.85 FABP5 (0.44) FABP5FABP7EPHX2KMT2ACASP3
SCHEMBL29913804 0.81 FABP5 (0.47) FABP5FABP7EPHX2KMT2ACASP3
SCHEMBL599683 0.81 FABP5 (0.39) FABP5FABP7EPHX2KMT2ACASP3
SCHEMBL29763559 0.81 FABP5 (0.39) FABP5FABP7EPHX2KMT2ACASP3
SCHEMBL29201750 0.81 FABP5 (0.39) FABP5FABP7EPHX2KMT2ACASP3
SCHEMBL29474439 0.81 FABP5 (0.39) FABP5FABP7EPHX2KMT2ACASP3
SCHEMBL25303011 0.81 FABP5 (0.40) FABP5FABP7EPHX2KMT2ACASP3
SCHEMBL5494109 0.81 FABP5 (0.43) FABP5FABP7EPHX2KMT2ACASP3
SCHEMBL1885672 0.81 FABP5 (0.40) FABP5FABP7EPHX2KMT2ACASP3
SCHEMBL19668361 0.81 FABP5 (0.40) FABP5FABP7EPHX2KMT2ACASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2213653-B1 METHOD FOR THE STEREOSELECTIVE PREPARATION OF AMINO ACID DERIVATIVES BCN PEPTIDES SA (ES) 2012-09-05 EP claimed
CN-101861299-A Stereoselective Preparation of Amino Acid Derivatives BCN PEPTIDES SA 2010-10-13 CN disclosed
WO-2009065987-A3 METHOD FOR THE STEREOSELECTIVE PREPARATION OF AMINO ACID DERIVATIVES BCN PEPTIDES SA (ES) 2009-07-30 WO disclosed
WO-2009065987-A2 METHOD FOR THE STEREOSELECTIVE PREPARATION OF AMINO ACID DERIVATIVES BCN PEPTIDES S.A. (ES) 2009-05-28 WO disclosed