SCHEMBL9302960

SCHEMBL9302960

COC1(c2cccc(CBr)c2)CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 11/20 0.52
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL1193890 0.85 ALOX5 (0.60) ALOX5
SCHEMBL8747780 0.76 ALOX5 (0.34) ALOX5
SCHEMBL27908645 0.76 SLC6A4 (0.53) ALOX5KDM4EHTTHSD17B10
SCHEMBL20819582 0.74 ALOX5 (0.57) ALOX5
SCHEMBL1040389 0.74 OPRM1 (0.54) ALOX5KDM4EHTTHSD17B10
SCHEMBL16024156 0.74 OPRM1 (0.54) ALOX5KDM4EHTTHSD17B10
SCHEMBL1040539 0.74 OPRM1 (0.54) ALOX5KDM4EHTTHSD17B10
SCHEMBL25840164 0.73 ALOX5 (0.44) ALOX5
SCHEMBL28032631 0.73 SLC6A4 (0.50) ALOX5
SCHEMBL3692139 0.73 ALOX5 (0.48) ALOX5

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
US-5281720-A Antiasthmatics, antiallergens, antiinflammatory agents and cytoprotective agents MERCK FROSST CANADA, INC. 1994-01-25 US disclosed
US-5227399-A Pyranylphenyl naphthalene lactones as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1993-07-13 US disclosed
EP-0501579-A1 Naphthalene lactones as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1992-09-02 EP disclosed
EP-0501578-A1 Pyranylphenyl hydroxyalkylnaphthoic acids as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1992-09-02 EP disclosed