SCHEMBL9156445

SCHEMBL9156445

OCc1cncc(C2CC(O)CCO2)c1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
CYP2A6 P11509 2/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30

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
SCHEMBL17161183 0.81 POLB (0.31)
SCHEMBL9157144 0.78 CHRNB4 (0.46)
SCHEMBL17161130 0.77 CYP11B1 (0.40) CYP11B1CYP11B2
SCHEMBL24933559 0.72 CYP11B2 (0.39) CYP11B1CYP11B2CYP2A6NOS3NOS1
SCHEMBL9159853 0.71
SCHEMBL9301530 0.71 RECQL (0.38)
Methyl Alcohol SCHEMBL9245360 0.71 CYP2A6 (0.48) CYP11B2CYP2A6
SCHEMBL24933003 0.70 CYP11B2 (0.39) CYP11B1CYP11B2CYP2A6NOS3NOS1
SCHEMBL30240861 0.70 CYP11B2 (0.39) CYP11B1CYP11B2CYP2A6NOS3NOS1
SCHEMBL17820615 0.69 CYP11B2 (0.42) CYP11B1CYP11B2CYP2A6NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5428060-A Useful as antiasthamatic, antiallergic, antiinflammatory and cytoprotective agent MERCK FROSST CANADA, INC. (CA) 1995-06-27 US disclosed
US-5426109-A Leukotriene biosynthesis inhibitors; antiinflammatory, cytoprotective agents, antiallergens MERCK FROSST CANADA, INC. (CA) 1995-06-20 US disclosed
US-5424320-A Antihistamine, antiallergic, antiinflammatory and cytoprotective agents MERCK FROSST CANADA, INC. (CA) 1995-06-13 US disclosed
US-5410054-A Heteroaryl quinolines as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1995-04-25 US disclosed
WO-1995003300-A1 HETEROARYL QUINOLINES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1995-02-02 WO disclosed
US-5360815-A Heteroaryl cinnamic acids as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1994-11-01 US disclosed
US-5350744-A Antiinflammatory, antiallergen MERCK FROSST CANADA, INC. (CA) 1994-09-27 US disclosed
US-5308852-A Cardiovascular disorders MERCK FROSST CANADA, INC. (CA) 1994-05-03 US disclosed
WO-1994005656-A1 PHENYLNAPHTHALENE LACTONES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1994-03-17 WO disclosed
WO-1994005657-A1 HETEROARYLNAPHTHALENE HYDROXY ACIDS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1994-03-17 WO disclosed
WO-1994005653-A1 PHENYLNAPHTHALENE HYDROXY ACIDS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1994-03-17 WO disclosed
WO-1994005658-A1 HETEROARYLNAPHTHALENE LACTONES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1994-03-17 WO 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
US-5252599-A Antiasthma, antiallergens, antiinflammatory agents MERCK FROSST CANADA, INC. (CA) 1993-10-12 US disclosed