SCHEMBL9301439

SCHEMBL9301439

O=C(CCl)c1cc(-c2ccccc2)c2ccc(OCc3ccccc3)cc2c1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.78
ALOX5 P09917 9/20 0.55
MAOB P27338 1/20 0.50
LTB4R Q15722 1/20 0.48
LTB4R2 Q9NPC1 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.45
GSTP1 P09211 1/20 0.45

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) P2RY14ALOX5MAOBLTB4RLTB4R2
SCHEMBL9301058 0.85 P2RY14 (0.73) P2RY14ALOX5MAOBLTB4RLTB4R2
SCHEMBL9300644 0.84 P2RY14 (0.78) P2RY14ALOX5MAOBLTB4RLTB4R2
SCHEMBL9301072 0.79 P2RY14 (0.71) P2RY14ALOX5MAOBLTB4RLTB4R2
SCHEMBL7342141 0.75 NR4A2 (0.70) MAOB
SCHEMBL7337987 0.74 NR4A2 (0.72) MAOBMRGPRX4
SCHEMBL2933136 0.74 P2RY14 (0.70) P2RY14ALOX5LTB4RLTB4R2MRGPRX4
SCHEMBL2931677 0.72 P2RY14 (0.60) P2RY14ALOX5MAOBLTB4RLTB4R2
SCHEMBL6652096 0.72 ALOX5 (0.63) P2RY14ALOX5MAOBMRGPRX4
SCHEMBL5921632 0.71 MRGPRX4 (0.76) P2RY14ALOX5MAOBMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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