SCHEMBL7217883

SCHEMBL7217883

CCCCCCCC(C)C(=O)OCC(C)C

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.52
ACE2 Q9BYF1 1/20 0.47
ZDHHC7 Q9NXF8 1/20 0.46
MAPT P10636 2/20 0.44
FAAH O00519 1/20 0.44
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
GPR84 Q9NQS5 3/20 0.42
FDPS P14324 3/20 0.42
LCK P06239 1/20 0.41
PPARD Q03181 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41

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
SCHEMBL22861599 1.00 CA1 (0.52) CA1ACE2ZDHHC7MAPTFAAH
SCHEMBL7218029 0.98 CA1 (0.53) CA1ACE2ZDHHC7MAPTFAAH
SCHEMBL7224114 0.92 CA1 (0.45) CA1ACE2MAPTFDPS
SCHEMBL23926555 0.87 PRSS1 (0.53) CA1ACE2ZDHHC7MAPTFAAH
SCHEMBL23926543 0.87 PRSS1 (0.53) CA1ACE2ZDHHC7MAPTFAAH
SCHEMBL23926545 0.87 PRSS1 (0.53) CA1ACE2ZDHHC7MAPTFAAH
SCHEMBL23926544 0.87 PRSS1 (0.53) CA1ACE2ZDHHC7MAPTFAAH
SCHEMBL23926542 0.87 PRSS1 (0.53) CA1ACE2ZDHHC7MAPTFAAH
SCHEMBL23926552 0.87 PRSS1 (0.53) CA1ACE2ZDHHC7MAPTFAAH
SCHEMBL23926559 0.87 PRSS1 (0.53) CA1ACE2ZDHHC7MAPTFAAH

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6667285-B1 Branched-chain carboxylic acid monoalkyl ester with outstanding hydrolytic stability NEW JAPAN CHEMICAL CO., LTD. (JP) 2003-12-23 US disclosed
EP-1225213-A1 LUBRICATING OIL FOR REFRIGERATOR, HYDRAULIC FLUID COMPOSITION FOR REFRIGERATOR AND METHOD FOR LUBRICATION OF REFRIGERATOR NEW JAPAN CHEMICAL CO.,LTD. (JP) 2002-07-24 EP disclosed