SCHEMBL3639331

SCHEMBL3639331

CC(CCc1ccc(N)c(O)c1)NC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
POLB P06746 4/20 0.45
KDM4E B2RXH2 3/20 0.45
MAPT P10636 3/20 0.45
RAB9A P51151 2/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
HTT P42858 3/20 0.44
HPGD P15428 3/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
SLC22A1 O15245 1/20 0.44
CA12 O43570 1/20 0.44
EGFR P00533 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
CA3 P07451 1/20 0.44

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
SCHEMBL3639332 1.00 KMT2A (0.45) KMT2AMEN1POLBKDM4EMAPT
SCHEMBL2712266 0.83 LIPG (0.49) KMT2AMEN1POLBKDM4EMAPT
SCHEMBL2712262 0.83 LIPG (0.49) KMT2AMEN1POLBKDM4EMAPT
SCHEMBL3736416 0.80 EPHX2 (0.46) KMT2AMEN1POLBKDM4EMAPT
SCHEMBL3702385 0.79 KMT2A (0.41) KMT2AMEN1POLBKDM4EMAPT
SCHEMBL3702387 0.79 KMT2A (0.41) KMT2AMEN1POLBKDM4EMAPT
SCHEMBL25305732 0.79 OPRK1 (0.58) KMT2AMEN1POLBKDM4ERAB9A
SCHEMBL17164480 0.77 POLB (0.43) KMT2AMEN1POLBKDM4EGAA
SCHEMBL17164479 0.77 POLB (0.43) KMT2AMEN1POLBKDM4EGAA
SCHEMBL3533818 0.76 SMN1; SMN2 (0.41) KMT2AMEN1POLBMAPTRAB9A

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-2205596-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING COMENTIS, INC. (US) 2010-07-14 EP disclosed
EP-2178837-A2 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY COMENTIS, INC. (US) 2010-04-28 EP disclosed
WO-2009042694-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING COMENTIS, INC. (US) 2009-04-02 WO disclosed
WO-2009015369-A2 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2009-01-29 WO disclosed