SCHEMBL8416867

SCHEMBL8416867

CCCCCCCCCCCCCCC1OC1c1cccc(C(=O)OC)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.52
PNLIP P16233 1/20 0.45
CTSK P43235 2/20 0.44
LOXL2 Q9Y4K0 1/20 0.42
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
MDH1 P40925 2/20 0.41
MGLL Q99685 3/20 0.40
SLC10A2 Q12908 1/20 0.40
SMPD1 P17405 1/20 0.39

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
SCHEMBL8415822 0.86 PLA2G4B (0.44) CTSK
SCHEMBL1499484 0.84 LOXL2 (0.48) LOXL2CYP4F2CYP4A11
SCHEMBL9375934 0.81 CYP4F2 (0.50) LOXL2CYP4F2CYP4A11
SCHEMBL9378795 0.81 CYP4F2 (0.50) LOXL2CYP4F2CYP4A11
SCHEMBL10374052 0.81 CYP4F2 (0.50) LOXL2CYP4F2CYP4A11
SCHEMBL8417241 0.78 GRM2 (0.43) GRM2LOXL2CYP4F2CYP4A11MDH1
SCHEMBL8417247 0.78 GRM2 (0.43) GRM2LOXL2CYP4F2CYP4A11MDH1
SCHEMBL8415879 0.77 CACNA1B (0.40) LOXL2CYP4F2CYP4A11
SCHEMBL3717973 0.77 CA12 (0.47) LOXL2CYP4F2CYP4A11
SCHEMBL8415858 0.75 GRM2 (0.41) GRM2LOXL2MDH1SLC10A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5990326-A AN ANTIINFLAMMATORY AGENT AS INHIBITORS OF LEUKOTRIENE HYDROLASE G.D. SEARLE & CO. (US) 1999-11-23 US claimed
EP-0360246-B1 3-Oxiranyl benzoic acids and derivatives thereof SEARLE & CO (US) 1994-03-30 EP claimed
EP-0360246-A1 3-Oxiranyl benzoic acids and derivatives thereof G.D. Searle & Co. (US) 1990-03-28 EP claimed
US-5990326-A AN ANTIINFLAMMATORY AGENT AS INHIBITORS OF LEUKOTRIENE HYDROLASE G.D. SEARLE & CO. (US) 1999-11-23 US disclosed
EP-0360246-B1 3-Oxiranyl benzoic acids and derivatives thereof SEARLE & CO (US) 1994-03-30 EP disclosed
EP-0360246-A1 3-Oxiranyl benzoic acids and derivatives thereof G.D. Searle & Co. (US) 1990-03-28 EP disclosed