SCHEMBL6575607

SCHEMBL6575607

CC(=O)OC(C)=O.COC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC=O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.43
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
CA2 P00918 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
SCHEMBL6575563 0.94 ALDH1A1 (0.46) CTSLMAPTALDH1A1MEN1KMT2A
SCHEMBL28209573 0.84 LMNA (0.46) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL11326172 0.81 CYP2D6 (0.47) MAPTLMNA
SCHEMBL16316818 0.80 MEN1 (0.48) ALDH1A1MEN1KMT2ALMNACA2
SCHEMBL11205081 0.80 MEN1 (0.48) ALDH1A1MEN1KMT2ALMNACA2
SCHEMBL6139152 0.80 MEN1 (0.48) ALDH1A1MEN1KMT2ALMNACA2
SCHEMBL10086332 0.79 LMNA (0.50) ALDH1A1MEN1KMT2ALMNACA2
SCHEMBL9925979 0.79 LMNA (0.50) ALDH1A1MEN1KMT2ALMNACA2
SCHEMBL28052118 0.79 CA2 (0.54) CTSLMAPTMEN1KMT2ALMNA
SCHEMBL13398403 0.79 MEN1 (0.47) MAPTALDH1A1MEN1KMT2ALMNA

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
EP-1474405-A2 PROCESS FOR THE PREPARATION OF 4-HETERO-SUBSTITUTED PHENYLALANINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2004-11-10 EP disclosed
WO-2003068725-A2 PROCESS FOR THE PREPARATION OF 4-HETERO-SUBSTITUTED PHENYLALANINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-08-21 WO disclosed