SCHEMBL8948174

SCHEMBL8948174

CCCCCCCCCCCCCCCCC(F)C(O)C[C]=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
GPR84 Q9NQS5 7/20 0.42
FDPS P14324 4/20 0.42
SPHK1 Q9NYA1 2/20 0.42
FFAR1 O14842 1/20 0.42
CYP2D6 P10635 2/20 0.40
GMNN O75496 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
THPO P40225 1/20 0.40
MTOR P42345 1/20 0.40
BLM P54132 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CETP P11597 1/20 0.40
HTT P42858 1/20 0.40
UBE2N P61088 1/20 0.40
LAP3 P28838 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
SCHEMBL3947308 0.82 SPHK1 (0.52) MAPTGPR84SPHK1FFAR1CYP2D6
SCHEMBL3955215 0.82 SPHK1 (0.52) MAPTGPR84SPHK1FFAR1CYP2D6
SCHEMBL11658003 0.79 MAPT (0.44) MAPTGPR84FDPSSPHK1FFAR1
SCHEMBL21593940 0.78 MAPT (0.52) MAPTGPR84SPHK1FFAR1CYP2D6
SCHEMBL21593936 0.78 MAPT (0.52) MAPTGPR84SPHK1FFAR1CYP2D6
SCHEMBL21593937 0.76 SPHK1 (0.45) MAPTGPR84SPHK1FFAR1CYP2D6
SCHEMBL21593938 0.76 SPHK1 (0.45) MAPTGPR84SPHK1FFAR1CYP2D6
SCHEMBL8948112 0.76 GPR84 (0.61) MAPTGPR84FFAR1
SCHEMBL8948179 0.76 MAPT (0.44) MAPTGPR84SPHK1FFAR1CYP2D6
SCHEMBL5180208 0.75 GPR84 (0.55) MAPTGPR84FDPSSPHK1FFAR1

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
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 claimed
EP-0618218-A1 Process for synthesising fatty acid acylated thiol transporter derivative, particularly of acyl coenzyme A derivatives, and the acyl-coenzyme A derivatives thus obtained COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1994-10-05 EP claimed