SCHEMBL29195095

SCHEMBL29195095

CCCCCCCCCCCCCCC(C)C(=O)OOCCl

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.47
ACE2 Q9BYF1 1/20 0.43
FAAH O00519 2/20 0.43
ZDHHC7 Q9NXF8 1/20 0.42
FFAR1 O14842 2/20 0.40
FFAR4 Q5NUL3 1/20 0.40
GPR84 Q9NQS5 4/20 0.39
FDPS P14324 3/20 0.39
MAPT P10636 2/20 0.38
LCK P06239 1/20 0.38
PPARD Q03181 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38

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
SCHEMBL29033081 1.00 CA1 (0.47) CA1ACE2FAAHZDHHC7FFAR1
SCHEMBL29033065 1.00 CA1 (0.47) CA1ACE2FAAHZDHHC7FFAR1
SCHEMBL29033067 0.93 CA1 (0.41) CA1ACE2FAAHZDHHC7FDPS
SCHEMBL28099783 0.84 CA1 (0.48) CA1ACE2FAAHZDHHC7FFAR1
SCHEMBL28292456 0.82 CA1 (0.50) CA1ACE2FAAHZDHHC7FFAR1
SCHEMBL29236455 0.79 CA1 (0.50) CA1ACE2FAAHZDHHC7FFAR1
SCHEMBL17710653 0.78 CA1 (0.44) CA1ACE2ZDHHC7FDPS
SCHEMBL2856136 0.78 CA1 (0.53) CA1ACE2FAAHZDHHC7FFAR1
SCHEMBL3081783 0.78 CA1 (0.53) CA1ACE2FAAHZDHHC7FFAR1
SCHEMBL28233476 0.78 CA1 (0.53) CA1ACE2FAAHZDHHC7FFAR1

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-115466216-B Preparation method of nonionic corrosion inhibitor and nonionic corrosion inhibitor 中国石油天然气股份有限公司 2024-03-26 CN disclosed