SCHEMBL9739893

SCHEMBL9739893

CCCc1cc(Cl)c2oc(C(=O)OCC)c(C)c2c1O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 11/20 0.54
ALOX15 P16050 1/20 0.53
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL9739829 0.86 ALOX5 (0.60) ALOX5ALOX15KDM4EALDH1A1
SCHEMBL3609288 0.86 RAB9A (0.50) ALOX5ALOX15RAB9ANPC1MAPT
SCHEMBL9739459 0.85 ALOX5 (0.53) ALOX5ALOX15RAB9ANPC1MAPT
SCHEMBL9740227 0.79 ALOX5 (0.65) ALOX5ALOX15RAB9ANPC1MAPT
SCHEMBL10738818 0.78 RAB9A (0.60) ALOX5RAB9ANPC1MAPTL3MBTL1
SCHEMBL10863363 0.78 L3MBTL1 (0.54) ALOX15RAB9ANPC1MAPTL3MBTL1
SCHEMBL10739810 0.76 RAB9A (0.58) ALOX15RAB9ANPC1MAPTL3MBTL1
SCHEMBL3609779 0.76 L3MBTL1 (0.48) ALOX5RAB9ANPC1MAPTL3MBTL1
SCHEMBL10745259 0.75 ALOX5 (0.48) ALOX5ALOX15RAB9ANPC1MAPT
SCHEMBL3614948 0.74 RAB9A (0.62) ALOX5RAB9ANPC1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0200443-B1 LIPOXYGENASE INHIBITORS MERCK FROSST CANADA INC. (CA) 1989-03-01 EP claimed
EP-0200443-A1 Lipoxygenase inhibitors MERCK FROSST CANADA INC. (CA) 1986-11-05 EP claimed
US-5087638-A Inhibitors of mammalian leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1992-02-11 US disclosed
EP-0338782-A1 Benzofuran derivatives MERCK FROSST CANADA INC. (CA) 1989-10-25 EP disclosed
US-4863958-A TREATING ALLERGIC CONDITIONS, ASTHMA, CARDIOVASCULAR DISORDERS, AND INFLAMMATION MERCK FROSST CANADA, INC. (CA) 1989-09-05 US disclosed
EP-0165810-B1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES, THEIR USE IN INHIBITING MAMMALIAN LEUKOTRIENE BIOSYNTHESIS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE DERIVATIVES MERCK FROSST CANADA INC. (CA) 1989-08-23 EP disclosed
EP-0200443-B1 LIPOXYGENASE INHIBITORS MERCK FROSST CANADA INC. (CA) 1989-03-01 EP disclosed
US-4663347-A ANTIINFLAMMATORY, ANTIALLERGENS, CARDIOVASCULAR MERCK FROSST CANADA, INC. (CA) 1987-05-05 US disclosed
EP-0200443-A1 Lipoxygenase inhibitors MERCK FROSST CANADA INC. (CA) 1986-11-05 EP disclosed
EP-0165810-A2 Benzofuran and benzothiophene derivatives, their use in inhibiting mammalian leukotriene biosynthesis, and pharmaceutical compositions containing these derivatives MERCK FROSST CANADA INC. (CA) 1985-12-27 EP disclosed