SCHEMBL8995750

SCHEMBL8995750

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.50
NAALAD2 Q9Y3Q0 1/20 0.42
CXCR2 P25025 1/20 0.38
ALDH1A1 P00352 2/20 0.35
CTSS P25774 1/20 0.33
MMP8 P22894 1/20 0.33
MMP2 P08253 2/20 0.33
MMP13 P45452 2/20 0.33
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
GAA P10253 1/20 0.31
PIK3CD O00329 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL8995757 1.00 FPR2 (0.50) FPR2NAALAD2CXCR2ALDH1A1CTSS
SCHEMBL8995753 1.00 FPR2 (0.50) FPR2NAALAD2CXCR2ALDH1A1CTSS
SCHEMBL10575333 0.82 FPR2 (0.49) FPR2NAALAD2CXCR2CTSSMMP8
SCHEMBL10575336 0.82 FPR2 (0.49) FPR2NAALAD2CXCR2CTSSMMP8
SCHEMBL18484564 0.82 CNR2 (0.38) FPR2ALDH1A1CTSSMMP8TDP1
SCHEMBL13544391 0.80 NAALAD2 (0.47) FPR2NAALAD2ALDH1A1MMP2MMP13
SCHEMBL5607969 0.80 NAALAD2 (0.47) FPR2NAALAD2ALDH1A1MMP2MMP13
SCHEMBL608376 0.80 NAALAD2 (0.37) FPR2NAALAD2ALDH1A1CTSSSMN1; SMN2
SCHEMBL24633802 0.79 FPR2 (0.47) FPR2NAALAD2CXCR2CTSSMMP8
SCHEMBL8741924 0.79 FPR2 (0.47) FPR2NAALAD2CXCR2ALDH1A1CTSS

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
US-5492830-A CONTACTING RACEMIC ESTER IN AQUEOUS MEDIUM WITH SERINE CARBOXYPEPTIDASE TO HYDROLYZE S-ENANTIOMER PREFERENTIALLY GENZYME CORPORATION (US) 1996-02-20 US disclosed