SCHEMBL4308178

SCHEMBL4308178

C[C@H](NC(=O)O)C(C)(C)C(=O)N[C@@H](C)CCc1ccc(Cl)c(O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 3/20 0.44
EPHX2 P34913 1/20 0.41
KCNH2 Q12809 3/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 2/20 0.39
SLC22A1 O15245 1/20 0.39
CA12 O43570 1/20 0.39
EGFR P00533 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
CA3 P07451 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
DRD2 P14416 1/20 0.39

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
SCHEMBL2712262 0.87 LIPG (0.49) LIPGEPHX2KCNH2LMNAKDM4E
SCHEMBL2712266 0.87 LIPG (0.49) LIPGEPHX2KCNH2LMNAKDM4E
SCHEMBL1396040 0.84 LIPG (0.42) LIPGEPHX2KCNH2LMNAKDM4E
SCHEMBL995999 0.79 LIPG (0.45) LIPGKCNH2LMNAKDM4EMAPK1
SCHEMBL14661034 0.74 LIPG (0.45) LIPGEPHX2KCNH2LMNAKDM4E
SCHEMBL3639332 0.71 KMT2A (0.45) KCNH2LMNAKDM4EMAPK1HTT
SCHEMBL3639331 0.71 KMT2A (0.45) KCNH2LMNAKDM4EMAPK1HTT
SCHEMBL3736416 0.71 EPHX2 (0.46) EPHX2KCNH2LMNAKDM4EMAPK1
SCHEMBL14660172 0.70 LIPG (0.36) LIPGKDM4ECA1CA2SIGMAR1
SCHEMBL19636019 0.68 LIPG (0.57) LIPGKCNH2TMEM97MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009136365-A1 PROCESS FOR THE PREPARATION OF 3,4-EPOXY-2-AMINO-1-SUBSTITUTED BUTANE DERIVATIVES AND INTERMEDIATE COMPOUNDS THEREOF RANBAXY LABORATORIES LIMITED (IN) 2009-11-12 WO claimed
WO-2013014633-A1 PROCESS FOR PREPARATION OF ATAZANAVIR OR ITS BISULFATE SALT RANBAXY LABORATORIES LIMITED (IN) 2013-01-31 WO disclosed
WO-2009136365-A1 PROCESS FOR THE PREPARATION OF 3,4-EPOXY-2-AMINO-1-SUBSTITUTED BUTANE DERIVATIVES AND INTERMEDIATE COMPOUNDS THEREOF RANBAXY LABORATORIES LIMITED (IN) 2009-11-12 WO disclosed