SCHEMBL13724775

SCHEMBL13724775

CCCCc1cc(OC)cc(C=N)c1O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.44
PTGS2 P35354 5/20 0.43
PTGES O14684 1/20 0.40
GPR84 Q9NQS5 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TYR P14679 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
EGFR P00533 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL22764010 0.85 ERN1 (0.45) ALOX5PTGS2PTGESGPR84TDP1
SCHEMBL5270031 0.84 ALOX5 (0.54) ALOX5PTGS2PTGESGPR84TDP1
SCHEMBL28605004 0.79 ALOX5 (0.54) ALOX5PTGS2PTGESTDP1TYR
SCHEMBL18987306 0.73 ALOX5 (0.73) ALOX5PTGS2PTGESTDP1L3MBTL1
SCHEMBL24119007 0.73 ERN1 (0.37) ALOX5PTGS2PTGESHTTNPSR1
SCHEMBL21558842 0.72 ALOX5 (0.74) ALOX5PTGS2PTGES
SCHEMBL29711563 0.72 ALOX5 (0.74) ALOX5PTGS2PTGES
SCHEMBL18342948 0.72 ALOX5 (0.74) ALOX5PTGS2PTGES
SCHEMBL19909623 0.72 ALOX5 (0.43) ALOX5PTGS2PTGESTDP1L3MBTL1
SCHEMBL18671367 0.70 HDAC4 (0.48) ALOX5PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1878757-B1 Ethylene (co)polymer and its use MITSUI CHEMICALS INC (JP) 2009-08-26 EP disclosed