SCHEMBL9300644

SCHEMBL9300644

COC(=O)c1cc(-c2ccccc2)c2ccc(OCc3ccccc3)cc2c1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.78
ALOX5 P09917 7/20 0.69
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
MAOB P27338 1/20 0.50
LTB4R Q15722 1/20 0.48
LTB4R2 Q9NPC1 1/20 0.48
BACE1 P56817 1/20 0.46

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
SCHEMBL9300510 0.88 P2RY14 (1.00) P2RY14ALOX5HPGDMAOBLTB4R
SCHEMBL9022751 0.86 LMNA (0.66) P2RY14ALOX5LMNAHPGDMAOB
SCHEMBL9301481 0.85 P2RY14 (0.57) P2RY14ALOX5LMNAHPGDLTB4R
SCHEMBL9022779 0.84 LTB4R (0.56) P2RY14ALOX5LMNAHPGDMAOB
SCHEMBL9301439 0.84 P2RY14 (0.78) P2RY14ALOX5MAOBLTB4RLTB4R2
SCHEMBL9301058 0.83 P2RY14 (0.73) P2RY14ALOX5MAOBLTB4RLTB4R2
SCHEMBL9023224 0.83 LTB4R (0.59) P2RY14ALOX5LMNAHPGDMAOB
SCHEMBL1779167 0.82 ALOX5 (0.59) P2RY14ALOX5LMNAHPGDMAOB
SCHEMBL9022950 0.82 P2RY14 (0.53) P2RY14ALOX5LMNAHPGDMAOB
SCHEMBL9023228 0.82 P2RY14 (0.53) P2RY14ALOX5LMNAHPGDMAOB

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