SCHEMBL30503532

SCHEMBL30503532

CCCCCC(C)C(=O)C1CC(C)(O)C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.47
ACE2 Q9BYF1 1/20 0.40
FDPS P14324 4/20 0.36
EPHX2 P34913 1/20 0.36
FFAR1 O14842 2/20 0.36
FFAR4 Q5NUL3 1/20 0.36
GPR84 Q9NQS5 3/20 0.35
NFKB1 P19838 1/20 0.35
CCR2 P41597 1/20 0.35
MAPT P10636 1/20 0.34
TP53 P04637 1/20 0.34
LCK P06239 1/20 0.34
PPARD Q03181 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 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
SCHEMBL30503524 0.98 CA1 (0.46) CA1ACE2FDPSEPHX2FFAR1
SCHEMBL30503559 0.82 CA1 (0.47) CA1ACE2FDPSEPHX2FFAR1
SCHEMBL30503609 0.82 CA2 (0.41) CA1FFAR1GPR84MAPTLCK
SCHEMBL29691264 0.74 CA1 (0.48) CA1ACE2FDPSFFAR1FFAR4
SCHEMBL13262041 0.74 NAAA (0.51) CA1ACE2EPHX2FFAR4CCR2
SCHEMBL12352194 0.71 CA1 (0.46) CA1ACE2FDPSFFAR1FFAR4
SCHEMBL22294273 0.71 CA1 (0.46) CA1ACE2FDPSFFAR1FFAR4
SCHEMBL13653732 0.71 CA1 (0.44) CA1ACE2FDPSCCR2MAPT
SCHEMBL16417920 0.70 CA1 (0.44) CA1ACE2FDPSFFAR1FFAR4
SCHEMBL18922376 0.69 LMNA (0.38) FDPSFFAR1GPR84MAPT

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
CN-116323557-A Cyclobutylamide monoacylglycerol lipase modulators 詹森药业有限公司 2023-06-23 CN disclosed