SCHEMBL3742437

SCHEMBL3742437

CCCCCCC(CCCC)CC(C)(C(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.47
GPR84 Q9NQS5 7/20 0.46
FFAR1 O14842 2/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.44
LCK P06239 1/20 0.44
PPARD Q03181 1/20 0.44
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
HSPD1 P10809 1/20 0.42
BLM P54132 1/20 0.42
HSPE1 P61604 1/20 0.42
MAPK1 P28482 1/20 0.42
GRIK1 P39086 1/20 0.42
GRIK2 Q13002 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
ACE2 Q9BYF1 1/20 0.42

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
SCHEMBL3811578 0.93 GPR84 (0.41) CA2GPR84FFAR1LMNAMAPT
SCHEMBL27868183 0.87 CA2 (0.48) CA2MAPK1
SCHEMBL3750618 0.84 CA2 (0.46) CA2GPR84FFAR1LMNAMAPT
SCHEMBL18595199 0.83 ACACB (0.47) CA2GPR84FFAR1LMNAMAPT
SCHEMBL688516 0.83 ACACB (0.47) CA2GPR84FFAR1LMNAMAPT
SCHEMBL1018592 0.81 CA2 (0.47) CA2GPR84FFAR1LMNAMAPT
SCHEMBL5597126 0.81 CA2 (0.47) CA2GPR84FFAR1LMNAMAPT
SCHEMBL29269935 0.81 CA2 (0.43) CA2GPR84FFAR1LMNAMAPT
SCHEMBL28595732 0.81 CA2 (0.43) CA2GPR84FFAR1LMNAMAPT
SCHEMBL28611950 0.81 CA2 (0.43) CA2GPR84FFAR1LMNAMAPT

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
US-20100298432-A1 Cosmetic Compositions Containing Esters of 2-Butyloctanol COGNIS IP MANAGEMENT GMBH (DE) 2010-11-25 US disclosed