SCHEMBL9301220

SCHEMBL9301220

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 2/20 0.43
NR4A2 P43354 1/20 0.40
LCK P06239 1/20 0.40
KDM4E B2RXH2 2/20 0.40
F2 P00734 1/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
PLAT P00750 1/20 0.40
KLK1 P06870 1/20 0.40
PRSS1 P07477 1/20 0.40
PELI1 Q96FA3 1/20 0.40
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA7 P43166 4/20 0.40
CA9 Q16790 4/20 0.40
CA14 Q9ULX7 4/20 0.40
BCL2L1 Q07817 1/20 0.39
ALOX5 P09917 3/20 0.39
TOP2A P11388 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 0.86 TOP2A (0.40) PTGER2KDM4EF2PLGPLAU
SCHEMBL9300402 0.84 P2RY14 (0.44) PTGER2F2PLGPLAUPLAT
SCHEMBL2926113 0.82 EGFR (0.51) LCKKDM4ECA12CA1CA2
SCHEMBL7812804 0.79 ALOX5 (0.46) PTGER2NR4A2LCKF2PLG
SCHEMBL9300140 0.79 PDK2 (0.46) LCKKDM4ECA12CA1CA2
SCHEMBL10026218 0.74 CA12 (0.53) LCKKDM4ECA12CA1CA2
SCHEMBL9300489 0.74 PELI1 (0.46) PTGER2KDM4EPLGPLAUPLAT
SCHEMBL27380652 0.73 NR4A2 (0.50) PTGER2NR4A2KDM4ECA12CA1
SCHEMBL19899928 0.72 KDM4E (0.49) PTGER2NR4A2KDM4ECA12CA1
SCHEMBL16160906 0.72 CYP17A1 (0.44) LCKKDM4ECA12CA1CA2

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