SCHEMBL8995760

SCHEMBL8995760

CCOC(=O)[C@](C)(CC(C)C)NC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.54
PKM P14618 3/20 0.50
KDM4E B2RXH2 1/20 0.50
THRB P10828 2/20 0.49
HTT P42858 2/20 0.47
MAPT P10636 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ATM Q13315 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 3/20 0.41
RECQL P46063 1/20 0.41
TSHR P16473 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL608377 1.00 MMP8 (0.54) MMP8PKMKDM4ETHRBHTT
SCHEMBL608375 1.00 MMP8 (0.54) MMP8PKMKDM4ETHRBHTT
SCHEMBL1812375 0.76 MAPT (0.59) MMP8PKMKDM4ETHRBHTT
SCHEMBL8995753 0.76 FPR2 (0.50) MMP8ALDH1A1TSHR
SCHEMBL8995757 0.76 FPR2 (0.50) MMP8ALDH1A1TSHR
SCHEMBL8995750 0.76 FPR2 (0.50) MMP8ALDH1A1TSHR
SCHEMBL18484564 0.74 CNR2 (0.38) MMP8ALDH1A1
SCHEMBL4426319 0.74 MMP8 (0.76) MMP8PKMKDM4ETHRBHTT
SCHEMBL7857447 0.74 MMP8 (0.59) MMP8PKMKDM4ETHRBHTT
SCHEMBL10493815 0.74 PKM (0.60) MMP8PKMKDM4ETHRBHTT

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