SCHEMBL4598626

SCHEMBL4598626

CC(N)C(=O)NC1(C(=O)O)CC(C(=O)O)C(C(=O)O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 5/20 0.42
CYP2C19 P33261 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GRM8 O00222 2/20 0.42
GRM6 O15303 2/20 0.42
CYP2C9 P11712 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2D6 P10635 1/20 0.42
ARG1 P05089 3/20 0.33
ARG2 P78540 1/20 0.33
SLC1A2 P43004 3/20 0.32
LMNA P02545 1/20 0.32
APEX1 P27695 1/20 0.32
GRM5 P41594 1/20 0.32
PMP22 Q01453 1/20 0.32
GRM1 Q13255 1/20 0.32
GRM2 Q14416 1/20 0.32

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
SCHEMBL9752273 0.78 CYP1A2 (0.35) CYP2C9ALDH1A1CYP1A2DPP4
SCHEMBL14015265 0.74 KMT2A (0.42) GRM4CYP2C19MEN1KMT2AGRM8
SCHEMBL9334836 0.68 DPP4 (0.37) ALDH1A1CYP1A2DPP4
SCHEMBL9334842 0.68 DPP4 (0.37) ALDH1A1CYP1A2DPP4
SCHEMBL10612524 0.67 KMT2A (0.61) KMT2AALDH1A1LMNA
SCHEMBL15467216 0.67 KMT2A (0.61) KMT2AALDH1A1LMNA
SCHEMBL14598558 0.65 FFAR3 (0.33) KMT2A
SCHEMBL13319984 0.61 GRM4 (1.00) GRM4CYP2C19MEN1KMT2AGRM8
SCHEMBL12648585 0.61 GRM4 (1.00) GRM4CYP2C19MEN1KMT2AGRM8
SCHEMBL3954836 0.61 GRM4 (1.00) GRM4CYP2C19MEN1KMT2AGRM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008138620-A2 1-AMINOCYCLOPENTANE-1,3,4-TRICARBOXYLIC ACIDS DERIVATIVES FAUST PHARMACEUTICALS (FR) 2008-11-20 WO disclosed