SCHEMBL8948112

SCHEMBL8948112

CCCCCCCCCCCCCCCCC(F)C(O)CC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 10/20 0.61
MAPT P10636 1/20 0.53
FFAR1 O14842 3/20 0.50
FFAR4 Q5NUL3 2/20 0.50
PPARD Q03181 6/20 0.44
LCK P06239 1/20 0.44
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
PPARG P37231 5/20 0.42
PPARA Q07869 5/20 0.42
HDAC11 Q96DB2 4/20 0.42
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TLR2 O60603 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
FABP4 P15090 2/20 0.42
PTPN1 P18031 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
MEN1 O00255 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
SCHEMBL21593940 0.89 MAPT (0.52) GPR84MAPTFFAR1FFAR4PPARD
SCHEMBL21593936 0.89 MAPT (0.52) GPR84MAPTFFAR1FFAR4PPARD
SCHEMBL31230931 0.82 GPR84 (0.68) GPR84MAPTFFAR1FFAR4PPARD
SCHEMBL3949092 0.82 GPR84 (0.68) GPR84MAPTFFAR1FFAR4PPARD
SCHEMBL4601843 0.82 GPR84 (0.68) GPR84MAPTFFAR1FFAR4PPARD
SCHEMBL3955262 0.82 GPR84 (0.68) GPR84MAPTFFAR1FFAR4PPARD
SCHEMBL31230959 0.82 GPR84 (0.68) GPR84MAPTFFAR1FFAR4PPARD
SCHEMBL27487568 0.81 GPR84 (0.56) GPR84MAPTFFAR1FFAR4PPARD
SCHEMBL11658946 0.80 GPR84 (0.55) GPR84MAPTFFAR1FFAR4PPARD
SCHEMBL1483983 0.79 GPR84 (0.63) GPR84MAPTFFAR1FFAR4PPARD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5424415-A Process for the synthesis of acylated derivatives of fatty acid-transporting thiols and in particular acyl-coenzymes A and the thus obtained acyl-coenzymes A COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1995-06-13 US claimed
US-5519128-A Process for the synthesis of acylated derivatives of fatty acid-transporting thiols and in particular acyl-coenzymes A and the thus obtained acyl-coenzymes A COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1996-05-21 US disclosed
US-5424415-A Process for the synthesis of acylated derivatives of fatty acid-transporting thiols and in particular acyl-coenzymes A and the thus obtained acyl-coenzymes A COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1995-06-13 US disclosed