SCHEMBL5325915

SCHEMBL5325915

CC(NC(=O)OCc1ccccc1)C(O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.53
NPY5R Q15761 1/20 0.53
CTSK P43235 2/20 0.53
CTSS P25774 1/20 0.53
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ALOX5 P09917 1/20 0.51

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
SCHEMBL5898188 1.00 ACACB (0.53) ACACBNPY5RCTSKCTSSMEN1
SCHEMBL5325912 1.00 ACACB (0.53) ACACBNPY5RCTSKCTSSMEN1
SCHEMBL7783393 0.90 ATM (0.56) CTSKCTSSMEN1POLBMAPK1
SCHEMBL30477939 0.87 KMT2A (0.60) ACACBCTSKMEN1KMT2AALOX5
SCHEMBL30477938 0.87 KMT2A (0.60) ACACBCTSKMEN1KMT2AALOX5
SCHEMBL30027551 0.87 KMT2A (0.60) ACACBCTSKMEN1KMT2AALOX5
SCHEMBL1643992 0.86 TP53 (0.61) CTSKCTSSMEN1POLBMAPK1
SCHEMBL1643990 0.86 TP53 (0.61) CTSKCTSSMEN1POLBMAPK1
SCHEMBL1643991 0.86 TP53 (0.61) CTSKCTSSMEN1POLBMAPK1
SCHEMBL3484836 0.86 TP53 (0.61) CTSKCTSSMEN1POLBMAPK1

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
WO-2007118964-A1 SUBSTITUTED N-(PHENETHYL)BENZAMIDE DERIVATIVES, PREPARATION AND USES THEREOF GENFIT (FR) 2007-10-25 WO disclosed
WO-2007118963-A2 SUBSTITUTED N-(PHENETHYL)BENZAMIDE DERIVATIVES, PREPARATION AND USES THEREOF GENFIT (FR) 2007-10-25 WO disclosed