SCHEMBL7873967

SCHEMBL7873967

CCCCCCCCCCCCCC(CC)(CC)C(C(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.44
FFAR1 O14842 2/20 0.44
PPARD Q03181 7/20 0.42
MAPT P10636 1/20 0.42
LCK P06239 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
CES2 O00748 1/20 0.41
PPARG P37231 6/20 0.40
PPARA Q07869 6/20 0.40
HDAC11 Q96DB2 5/20 0.40
TSHR P16473 4/20 0.40
ALDH1A1 P00352 2/20 0.40
TLR2 O60603 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
FABP4 P15090 2/20 0.40
PTPN1 P18031 2/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL11461309 1.00 GPR84 (0.44) GPR84FFAR1PPARDMAPTLCK
SCHEMBL9346684 1.00 GPR84 (0.44) GPR84FFAR1PPARDMAPTLCK
SCHEMBL28796188 0.98 GPR84 (0.41) GPR84FFAR1PPARDMAPTLCK
SCHEMBL20954015 0.88 CA2 (0.39) GPR84FFAR1PPARDMAPTLCK
SCHEMBL8676168 0.84 GPR84 (0.34) GPR84FFAR1PPARDMAPTLCK
SCHEMBL16736963 0.79 HSPD1 (0.53) GPR84FFAR1PPARDMAPTLCK
SCHEMBL27780264 0.79 GPR84 (0.47) GPR84FFAR1PPARDMAPTLCK
SCHEMBL20953994 0.79 HDAC1 (0.37) GPR84FFAR1PPARDMAPTLCK
SCHEMBL29128602 0.78 GPR84 (0.44) GPR84FFAR1PPARDPPARGPPARA
SCHEMBL3061235 0.78 HDAC1 (0.38) GPR84FFAR1PPARDMAPTLCK

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-6319952-B1 EXPOSING THE MEMBRANE TO BRANCHED FATTY ACIDS OR THEIR SALTS, ESTERS OR AMIDES WHICH IMPROVE AND ENABLE THE PENETRATION AND ABSORPTION OF ACTIVE INGREDIENTS THROUGH BIOMEMBRANES D-PHARM LTD. (IL) 2001-11-20 US disclosed