SCHEMBL3764009

SCHEMBL3764009

CCCCCC(C)C1(C(=O)O)CCCCC1(C(=O)O)C(C)CCCCC

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
ACE2 Q9BYF1 1/20 0.41
GPR84 Q9NQS5 7/20 0.40
CA1 P00915 2/20 0.40
FFAR1 O14842 2/20 0.40
LCK P06239 1/20 0.39
PPARD Q03181 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
FFAR4 Q5NUL3 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL2915574 0.98 MAPT (0.46) MAPTACE2GPR84CA1FFAR1
SCHEMBL5647881 0.94 MAPT (0.42) MAPTACE2GPR84CA1FFAR1
SCHEMBL5646423 0.94 MAPT (0.42) MAPTACE2GPR84CA1FFAR1
SCHEMBL5647335 0.88 MAPT (0.40) MAPTACE2GPR84CA1FFAR1
SCHEMBL5649342 0.86 MAPT (0.39) MAPTACE2GPR84CA1FFAR1
SCHEMBL5646549 0.85 MAPT (0.38) MAPTACE2GPR84CA1FFAR1
SCHEMBL5647679 0.85 MAPT (0.38) MAPTACE2GPR84CA1FFAR1
SCHEMBL5648103 0.84 MAPT (0.37) MAPTACE2GPR84CA1FFAR1
SCHEMBL23123309 0.81 GPR84 (0.39) MAPTACE2GPR84CA1FFAR1
SCHEMBL5644653 0.79 CYP2C19 (0.34) MEN1KMT2A

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-20100310891-A1 Compositions Based on C4-C7 Secondary Aliphatic Alcohol Esters of Cyclohexanecarboxylic Acids EXXONMOBIL CHEMICAL PATENTS INC. 2010-12-09 US disclosed
WO-2009070399-A1 COMPOSITIONS BASED ON C4-C7 SECONDARY ALIPHATIC ALCOHOL ESTERS OF CYCLOHEXANECARBOXYLIC ACIDS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-06-04 WO disclosed