SCHEMBL5263828

SCHEMBL5263828

CC(C)N(C(=O)O)c1cccc(C(N)C(=O)OC(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.38
HTR2C P28335 1/20 0.36
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
BRD4 O60885 1/20 0.33
MLYCD O95822 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.32
RECQL P46063 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALOX5 P09917 1/20 0.32
CASR P41180 1/20 0.31

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
SCHEMBL3930203 0.80 HTR2C (0.42) HTR2CALDH1A1LMNATP53SMN1; SMN2
SCHEMBL3933844 0.79 CTSK (0.44) ALDH1A1MAPT
SCHEMBL184424 0.79 ANPEP (0.51) SLC7A5ALDH1A1LMNASMN1; SMN2PTGS1
SCHEMBL305032 0.76 L3MBTL1 (0.45) SLC7A5ALDH1A1LMNASMN1; SMN2AAK1
SCHEMBL594359 0.76 L3MBTL1 (0.45) SLC7A5ALDH1A1LMNASMN1; SMN2AAK1
SCHEMBL30065221 0.76 L3MBTL1 (0.45) SLC7A5ALDH1A1LMNASMN1; SMN2AAK1
SCHEMBL8909021 0.76 ADRB1 (0.46) SLC7A5LMNA
SCHEMBL7210714 0.76 CPN1 (0.42) SLC7A5ALDH1A1LMNAKMT2A
SCHEMBL3922657 0.75 MEN1 (0.45) HTR2CALDH1A1LMNATP53SMN1; SMN2
Hydrochloric Acid SCHEMBL304679 0.75 ATM (0.44) SLC7A5ALDH1A1LMNASMN1; SMN2ITGA4

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-1794135-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-06-13 EP disclosed
WO-2006037117-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-04-06 WO disclosed