SCHEMBL5137417

SCHEMBL5137417

[CH2]CCCCCCC(OC(C)C)C(O)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.34
FFAR1 O14842 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
ACE2 Q9BYF1 1/20 0.32
MAPT P10636 1/20 0.30
LCK P06239 1/20 0.30
PPARD Q03181 1/20 0.30
ZDHHC20 Q5W0Z9 1/20 0.30
ZDHHC2 Q9UIJ5 1/20 0.30

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
SCHEMBL21722533 0.73
SCHEMBL10386577 0.72 PDE4A (0.40) ALDH1A1
SCHEMBL21603084 0.70 ACE2 (0.53) GPR84FFAR1ACE2MAPTLCK
SCHEMBL4849724 0.70 ACE2 (0.53) GPR84FFAR1ACE2MAPTLCK
SCHEMBL22043021 0.70 ACE2 (0.53) GPR84FFAR1ACE2MAPTLCK
SCHEMBL7624518 0.70 ACE2 (0.53) GPR84FFAR1ACE2MAPTLCK
SCHEMBL21722556 0.68 ACE2 (0.47) GPR84FFAR1ACE2MAPTLCK
SCHEMBL2733782 0.68 GPR84 (0.61) GPR84FFAR1MAPTLCKPPARD
SCHEMBL1227946 0.68 GPR84 (0.61) GPR84FFAR1MAPTLCKPPARD
SCHEMBL6678104 0.68 GPR84 (0.61) 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
EP-1681326-B1 Liquid silicone rubber coating agent composition and air bag using the composition SHINETSU CHEMICAL CO (JP) 2008-08-06 EP claimed