SCHEMBL9300402

SCHEMBL9300402

O=C(O)c1cc(-c2ccoc2)c2ccc(O)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 2/20 0.44
PTGER2 P43116 1/20 0.44
F2 P00734 1/20 0.42
PLG P00747 1/20 0.42
PLAU P00749 1/20 0.42
PLAT P00750 1/20 0.42
KLK1 P06870 1/20 0.42
PRSS1 P07477 1/20 0.42
ALOX5 P09917 1/20 0.41
PELI1 Q96FA3 1/20 0.40
CNR2 P34972 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38

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
SCHEMBL9301988 0.88 TOP2A (0.40) PTGER2F2PLGPLAUPLAT
SCHEMBL9301220 0.84 PTGER2 (0.43) PTGER2F2PLGPLAUPLAT
SCHEMBL9301722 0.81 P2RY14 (0.63) P2RY14ALOX5
SCHEMBL9300489 0.78 PELI1 (0.46) PTGER2PLGPLAUPLATKLK1
SCHEMBL7816757 0.75 ALOX5 (0.49) ALOX5PELI1HSD17B1HSD17B2
SCHEMBL3420178 0.72 SLC6A2 (0.56) P2RY14ALOX5
SCHEMBL27624039 0.71 P2RY14 (0.52) P2RY14PTGER2CNR2
SCHEMBL10026215 0.71 PTPN1 (0.51) P2RY14ALOX5
SCHEMBL9269222 0.70 HSD17B1 (0.42) PTGER2ALOX5PELI1CNR2GPR84
SCHEMBL8442653 0.70 P2RY14 (0.58) P2RY14PTGER2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1087907-A Heteroaryl naphthalene as white (cell) triolefin biosynthesis inhibitor MERCK FROSST CANADA INC (CA) 1994-06-15 CN disclosed
US-5308852-A Cardiovascular disorders MERCK FROSST CANADA, INC. (CA) 1994-05-03 US disclosed
EP-0579304-A1 Heteroarylnaphthalenes as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1994-01-19 EP disclosed
WO-1994000444-A1 HETEROARYLNAPHTHALENES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1994-01-06 WO disclosed