SCHEMBL3749115

SCHEMBL3749115

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.50
GPR84 Q9NQS5 3/20 0.42
FFAR1 O14842 2/20 0.42
MAPT P10636 1/20 0.41
LCK P06239 1/20 0.41
PPARD Q03181 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
CA2 P00918 2/20 0.40
HSPD1 P10809 1/20 0.40
BLM P54132 1/20 0.40
HSPE1 P61604 1/20 0.40
GRIK1 P39086 1/20 0.40
GRIK2 Q13002 1/20 0.40
MAPK1 P28482 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
CA1 P00915 2/20 0.39
FAAH O00519 1/20 0.38
LMNA P02545 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
SCHEMBL3746685 0.88 ACE2 (0.51) ACE2GPR84FFAR1MAPTLCK
SCHEMBL3756966 0.88 ACE2 (0.51) ACE2GPR84FFAR1MAPTLCK
SCHEMBL3747402 0.87 ACE2 (0.50) ACE2GPR84FFAR1MAPTLCK
SCHEMBL3749805 0.87 ACE2 (0.50) ACE2GPR84FFAR1MAPTLCK
SCHEMBL3749329 0.87 ACE2 (0.50) ACE2GPR84FFAR1MAPTLCK
SCHEMBL3747699 0.87 ACE2 (0.50) ACE2GPR84FFAR1MAPTLCK
SCHEMBL28595732 0.83 CA2 (0.43) GPR84FFAR1MAPTLCKPPARD
SCHEMBL28611950 0.83 CA2 (0.43) GPR84FFAR1MAPTLCKPPARD
SCHEMBL28610201 0.83 CA2 (0.43) GPR84FFAR1MAPTLCKPPARD
SCHEMBL28597977 0.83 CA2 (0.43) GPR84FFAR1MAPTLCKPPARD

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