SCHEMBL8415858

SCHEMBL8415858

CCCCCCCCCCC=CC=CC1OC1c1cccc(C(=O)OC)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.41
TLR2 O60603 2/20 0.39
ALOX5 P09917 1/20 0.39
FAAH O00519 5/20 0.38
EPHX2 P34913 2/20 0.37
MDH1 P40925 1/20 0.36
SLC10A2 Q12908 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
CACNA1B Q00975 1/20 0.36

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
SCHEMBL8415854 1.00 GRM2 (0.41) GRM2TLR2ALOX5FAAHEPHX2
SCHEMBL8416773 0.99 GRM2 (0.41) GRM2TLR2ALOX5FAAHEPHX2
SCHEMBL8415832 0.99 GRM2 (0.41) GRM2TLR2ALOX5FAAHEPHX2
SCHEMBL8416769 0.99 GRM2 (0.41) GRM2TLR2ALOX5FAAHEPHX2
SCHEMBL8415827 0.99 GRM2 (0.41) GRM2TLR2ALOX5FAAHEPHX2
SCHEMBL8415851 0.99 GRM2 (0.41) GRM2TLR2ALOX5FAAHEPHX2
SCHEMBL8416771 0.93 ALOX5 (0.48) TLR2ALOX5FAAHEPHX2
SCHEMBL8417241 0.93 GRM2 (0.43) GRM2TLR2FAAHEPHX2MDH1
SCHEMBL8417247 0.93 GRM2 (0.43) GRM2TLR2FAAHEPHX2MDH1
SCHEMBL8416790 0.88 ALOX5 (0.43) TLR2ALOX5FAAHEPHX2

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