SCHEMBL8028598

SCHEMBL8028598

CCCCCCCCCCCC(C)C(CC)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.53
FFAR1 O14842 1/20 0.53
ACE2 Q9BYF1 1/20 0.53
MAPT P10636 1/20 0.52
LCK P06239 1/20 0.52
PPARD Q03181 1/20 0.52
ZDHHC20 Q5W0Z9 1/20 0.52
ZDHHC2 Q9UIJ5 1/20 0.52
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.46
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
GRIK1 P39086 1/20 0.44
GRIK2 Q13002 1/20 0.44

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
SCHEMBL29126788 1.00 GPR84 (0.53) GPR84FFAR1ACE2MAPTLCK
SCHEMBL6744021 1.00 GPR84 (0.53) GPR84FFAR1ACE2MAPTLCK
SCHEMBL1116066 1.00 GPR84 (0.53) GPR84FFAR1ACE2MAPTLCK
SCHEMBL28504059 0.98 GPR84 (0.50) GPR84FFAR1ACE2MAPTLCK
SCHEMBL4470713 0.92 CA2 (0.54) GPR84FFAR1ACE2MAPTLCK
SCHEMBL6431145 0.92 CA2 (0.54) GPR84FFAR1ACE2MAPTLCK
SCHEMBL2211128 0.90 GPR84 (0.55) GPR84FFAR1ACE2MAPTLCK
SCHEMBL5027014 0.90 GPR84 (0.55) GPR84FFAR1ACE2MAPTLCK
SCHEMBL3902890 0.90 GPR84 (0.55) GPR84FFAR1ACE2MAPTLCK
SCHEMBL3904059 0.90 GPR84 (0.55) GPR84FFAR1ACE2MAPTLCK

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
EP-1025190-A2 FATTY ACIDS, SOAPS, SURFACTANT SYSTEMS, AND CONSUMER PRODUCTS BASED THEREON THE PROCTER & GAMBLE COMPANY (US) 2000-08-09 EP disclosed
WO-1999020722-A2 FATTY ACIDS, SOAPS, SURFACTANT SYSTEMS, AND CONSUMER PRODUCTS BASED THEREON THE PROCTER & GAMBLE COMPANY (US) 1999-04-29 WO disclosed