SCHEMBL1410686

SCHEMBL1410686

CC[C@@](N)(C(=O)O)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.50
GRM3 Q14832 4/20 0.50
ARG1 P05089 3/20 0.38
ARG2 P78540 3/20 0.38
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
RECQL P46063 1/20 0.33
KIF11 P52732 1/20 0.32
EPHX1 P07099 3/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL5325583 0.90 GRM2 (0.55) GRM2GRM3ARG1ARG2ALDH1A1
Hydrochloric Acid SCHEMBL21239443 0.88 GRM2 (0.53) GRM2GRM3ARG1ARG2ALDH1A1
SCHEMBL28052590 0.85 ARG1 (0.43) GRM2GRM3ARG1ARG2ALDH1A1
SCHEMBL8958248 0.84 GRM2 (0.38) GRM2GRM3ALDH1A1MEN1CYP1A2
SCHEMBL8958254 0.84 GRM2 (0.38) GRM2GRM3ALDH1A1MEN1CYP1A2
SCHEMBL8958245 0.84 GRM2 (0.38) GRM2GRM3ALDH1A1MEN1CYP1A2
SCHEMBL4619823 0.82 GRM2 (0.45) GRM2GRM3ARG1ARG2ALDH1A1
SCHEMBL27921295 0.78 GRM2 (0.37) GRM2GRM3ALDH1A1THRBRECQL
SCHEMBL8735978 0.77 KEAP1 (0.37) GRM2GRM3ALDH1A1MEN1CYP1A2
SCHEMBL5568695 0.77 RECQL (0.39) GRM2GRM3ALDH1A1CYP1A2KEAP1

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
EP-2295410-A1 HDAC inhibitor Chroma Therapeutics Limited (GB) 2011-03-16 EP disclosed