SCHEMBL8925871

SCHEMBL8925871

CCCCCCCCC=CCCCCCCCC(=O)OC(=O)c1ccco1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
FAAH O00519 9/20 0.49
EPHX2 P34913 4/20 0.49
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
CES1 P23141 1/20 0.46
SOAT2 O75908 1/20 0.45
SOAT1 P35610 1/20 0.45
POLM Q9NP87 1/20 0.45
POLK Q9UBT6 1/20 0.45
POLL Q9UGP5 1/20 0.45
POLH Q9Y253 1/20 0.45

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
SCHEMBL2397128 0.92 GAA (0.53) GAAEPHX2
SCHEMBL27995502 0.91 GAA (0.52) GAAEPHX2
SCHEMBL15537570 0.87 HDAC3 (0.49) GAA
SCHEMBL8925873 0.82 ALDH1A1 (0.57) GAAFAAH
SCHEMBL8925863 0.82 ALDH1A1 (0.57) GAAFAAH
SCHEMBL11583907 0.81 KMT2A (0.50) GAACES1
SCHEMBL27788707 0.80 PPARG (0.51) FAAHSOAT1
SCHEMBL11169921 0.79 SOAT2 (0.56) FAAHEPHX2CNR1CNR2CES1
SCHEMBL3200601 0.79 SOAT2 (0.56) FAAHEPHX2CNR1CNR2CES1
SCHEMBL3527462 0.78 SOAT2 (0.54) FAAHEPHX2CNR1CNR2CES1

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-5646098-A Carbonyl containing compounds and their derivatives as multi-functional fuel and lube additives EXXON CHEMICAL PATENTS INC (US) 1997-07-08 US disclosed
US-5550241-A Adducts of cyclic carbonyl monomers and substituted alkens EXXON RESEARCH AND ENGINEERING COMPANY (US) 1996-08-27 US disclosed