SCHEMBL9301988

SCHEMBL9301988

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.40
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
PLAT P00750 1/20 0.39
KLK1 P06870 1/20 0.39
PRSS1 P07477 1/20 0.39
PELI1 Q96FA3 2/20 0.39
ADORA2A P29274 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2B P29275 1/20 0.39
ALOX5 P09917 4/20 0.38
HSD17B1 P14061 4/20 0.38
PTGER2 P43116 1/20 0.38
HSD17B2 P37059 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 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
SCHEMBL9300402 0.88 P2RY14 (0.44) F2PLGPLAUPLATKLK1
SCHEMBL9301220 0.86 PTGER2 (0.43) TOP2AF2PLGPLAUPLAT
SCHEMBL9302158 0.80 ALDH1A1 (0.50) ALOX5HSD17B1KDM4EALDH1A1LMNA
SCHEMBL9300489 0.77 PELI1 (0.46) TOP2APLGPLAUPLATKLK1
SCHEMBL7816757 0.74 ALOX5 (0.49) PELI1ALOX5HSD17B1HSD17B2ERN1
SCHEMBL5737770 0.72 ADORA2A (0.46) ADORA2AADORA3ADORA2BALDH1A1HSD17B10
SCHEMBL16160187 0.68 ABL1 (0.38) HSD17B1KDM4EALDH1A1LMNAGLA
SCHEMBL9301722 0.68 P2RY14 (0.63) ALOX5KDM4EALDH1A1HPGD
SCHEMBL9261782 0.68 CA12 (0.67) ALOX5KDM4EALDH1A1LMNAGLA
SCHEMBL7206316 0.68 HSD17B1 (0.51) HSD17B1ALDH1A1HPGDHSD17B10

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