SCHEMBL9130816

SCHEMBL9130816

CC/C=C/c1cccc(Oc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.59
PTGS1 P23219 2/20 0.59
PTGS2 P35354 2/20 0.59
ALOX5AP P20292 1/20 0.59
EPOR P19235 4/20 0.58
TLR4 O00206 1/20 0.54
TLR2 O60603 1/20 0.54
PPARG P37231 1/20 0.49
KDM5A P29375 1/20 0.47
BACE1 P56817 1/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL9130834 1.00 ALOX5 (0.59) ALOX5PTGS1PTGS2ALOX5APEPOR
Diphenylether SCHEMBL29291792 0.89 RELA (0.48) ALOX5PTGS1PTGS2ALOX5APEPOR
SCHEMBL11397964 0.84 TLR4 (0.50) ALOX5PTGS1PTGS2ALOX5APEPOR
SCHEMBL14604958 0.84 LTA4H (0.52) TLR4TLR2LMNAMAPTKDM4E
SCHEMBL9492646 0.83 EPOR (0.58) ALOX5PTGS1PTGS2ALOX5APEPOR
SCHEMBL11157827 0.83 EPOR (0.62) ALOX5PTGS1PTGS2ALOX5APEPOR
SCHEMBL4990855 0.83 EPOR (0.62) ALOX5PTGS1PTGS2ALOX5APEPOR
SCHEMBL4990847 0.83 EPOR (0.62) ALOX5PTGS1PTGS2ALOX5APEPOR
SCHEMBL30721682 0.83 EPOR (0.62) ALOX5PTGS1PTGS2ALOX5APEPOR
SCHEMBL9359231 0.83 EPOR (0.62) ALOX5PTGS1PTGS2ALOX5APEPOR

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-7169786-B2 Isoxazoline derivatives as anti-depressants JANSSEN-CILAG S.A. (ES) 2007-01-30 US disclosed
US-7169786-B2 Isoxazoline derivatives as anti-depressants JANSSEN-CILAG S.A. (ES) 2007-01-30 US disclosed
US-5466838-A Catalytic reaction of olefin with oxygen in the presence of aldehyde SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-11-14 US disclosed
EP-0540009-B1 Process for producing epoxides SUMITOMO CHEMICAL CO (JP) 1995-08-30 EP disclosed
US-5367087-A Process for producing epoxide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-11-22 US disclosed
EP-0540009-A1 Process for producing epoxides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-05-05 EP disclosed