SCHEMBL24099581

SCHEMBL24099581

CCCC[C@@](C)(N)OC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
FDPS P14324 3/20 0.41
ALDH1A1 P00352 1/20 0.40
SMPD1 P17405 4/20 0.35
ATM Q13315 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TSHR P16473 3/20 0.33
CES2 O00748 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CES1 P23141 1/20 0.32
THRB P10828 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 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
SCHEMBL20046457 1.00 GAA (0.43) GAAFDPSALDH1A1SMPD1ATM
SCHEMBL19091036 0.87 GAA (0.46) GAAFDPSALDH1A1ATMMEN1
SCHEMBL27622530 0.82 FDPS (0.39) FDPSALDH1A1SMPD1ATMMEN1
SCHEMBL6056623 0.81 TSHR (0.49) GAAFDPSALDH1A1SMPD1ATM
SCHEMBL12060125 0.78 GAA (0.46) GAAFDPSALDH1A1ATMMEN1
SCHEMBL20051819 0.78
SCHEMBL20715544 0.78 FDPS (0.39) GAAFDPSALDH1A1SMPD1ATM
SCHEMBL10719939 0.77 TSHR (0.47) FDPSALDH1A1SMPD1ATMLMNA
SCHEMBL12776896 0.76 ALDH1A1 (0.44) GAAFDPSALDH1A1ATMMEN1
SCHEMBL21542093 0.75 GAA (0.43) GAAFDPSALDH1A1ATMMEN1

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-2021252143-A1 LUBRICANTS HAVING IMPROVED LOW TEMPERATURE, OXIDATION AND DEPOSIT CONTROL PERFORMANCE EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2021-12-16 WO disclosed