SCHEMBL30503524

SCHEMBL30503524

CCCCCCCC(C)C(=O)C1CC(C)(O)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.46
ACE2 Q9BYF1 1/20 0.42
FFAR1 O14842 2/20 0.39
FFAR4 Q5NUL3 1/20 0.39
EPHX2 P34913 1/20 0.38
GPR84 Q9NQS5 6/20 0.38
FDPS P14324 3/20 0.38
MAPT P10636 1/20 0.37
LCK P06239 1/20 0.37
PPARD Q03181 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
CCR2 P41597 1/20 0.36

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
SCHEMBL30503532 0.98 CA1 (0.47) CA1ACE2FFAR1FFAR4EPHX2
SCHEMBL30503559 0.84 CA1 (0.47) CA1ACE2FFAR1FFAR4EPHX2
SCHEMBL30503609 0.84 CA2 (0.41) CA1FFAR1GPR84MAPTLCK
SCHEMBL13262041 0.76 NAAA (0.51) CA1ACE2FFAR4EPHX2CCR2
SCHEMBL29691264 0.76 CA1 (0.48) CA1ACE2FFAR1FFAR4GPR84
SCHEMBL18922376 0.72 LMNA (0.38) FFAR1GPR84FDPSMAPT
SCHEMBL22294273 0.70 CA1 (0.46) CA1ACE2FFAR1FFAR4GPR84
SCHEMBL3231557 0.69 CA1 (0.71) CA1ACE2FFAR1FFAR4GPR84
SCHEMBL3218364 0.69 CA1 (0.71) CA1ACE2FFAR1FFAR4GPR84
SCHEMBL3211014 0.69 CA1 (0.71) CA1ACE2FFAR1FFAR4GPR84

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