SCHEMBL8417334

SCHEMBL8417334

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 3/20 0.41
F3 P13726 3/20 0.41
MMP2 P08253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
ECE1 P42892 1/20 0.41
SGMS1 Q86VZ5 1/20 0.41
SGMS2 Q8NHU3 1/20 0.41
MUS81 Q96NY9 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
PLA2G4B P0C869 1/20 0.40
EPHX2 P34913 1/20 0.40
TLR2 O60603 2/20 0.40
PTPN11 Q06124 2/20 0.40
PPARA Q07869 1/20 0.39
BID P55957 3/20 0.39
BCL2L1 Q07817 3/20 0.39
MCL1 Q07820 3/20 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
SCHEMBL8417338 1.00 F7 (0.41) F7F3MMP2KDM4EMAPT
SCHEMBL8416790 0.92 ALOX5 (0.43) F7F3MMP2KDM4EMAPT
SCHEMBL8416786 0.92 ALOX5 (0.43) F7F3MMP2KDM4EMAPT
Lithium SCHEMBL4589251 0.91 ALOX5 (0.42) F7F3MMP2KDM4EMAPT
SCHEMBL5446324 0.91 ALOX5 (0.42) F7F3MMP2KDM4EMAPT
SCHEMBL8417247 0.87 GRM2 (0.43) EPHX2TLR2PPARA
SCHEMBL8417241 0.87 GRM2 (0.43) EPHX2TLR2PPARA
SCHEMBL8415854 0.80 GRM2 (0.41) EPHX2TLR2
SCHEMBL8415858 0.80 GRM2 (0.41) EPHX2TLR2
SCHEMBL8415827 0.79 GRM2 (0.41) EPHX2TLR2

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