SCHEMBL8417241

SCHEMBL8417241

CCCCCCCCCCCC/C=C/C1OC1c1cccc(C(=O)OC)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.43
TLR2 O60603 2/20 0.40
FAAH O00519 3/20 0.39
EPHX2 P34913 2/20 0.39
MDH1 P40925 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
SLC10A2 Q12908 1/20 0.37
CACNA1B Q00975 1/20 0.37
MGLL Q99685 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL8417247 1.00 GRM2 (0.43) GRM2TLR2FAAHEPHX2MDH1
SCHEMBL8415858 0.93 GRM2 (0.41) GRM2TLR2FAAHEPHX2MDH1
SCHEMBL8415854 0.93 GRM2 (0.41) GRM2TLR2FAAHEPHX2MDH1
SCHEMBL8416773 0.92 GRM2 (0.41) GRM2TLR2FAAHEPHX2MDH1
SCHEMBL8415832 0.92 GRM2 (0.41) GRM2TLR2FAAHEPHX2MDH1
SCHEMBL8416769 0.92 GRM2 (0.41) GRM2TLR2FAAHEPHX2MDH1
SCHEMBL8415851 0.92 GRM2 (0.41) GRM2TLR2FAAHEPHX2MDH1
SCHEMBL8415827 0.92 GRM2 (0.41) GRM2TLR2FAAHEPHX2MDH1
SCHEMBL8416771 0.88 ALOX5 (0.48) TLR2FAAHEPHX2
SCHEMBL8417334 0.87 F7 (0.41) TLR2EPHX2PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2134375-A None JP disclosed
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
JP-H02134375-A 3-OXIRANYL BENZOATE AND ITS DERIVATIVE G D SEARLE & CO 1990-05-23 JP disclosed
EP-0360246-A1 3-Oxiranyl benzoic acids and derivatives thereof G.D. Searle & Co. (US) 1990-03-28 EP disclosed