SCHEMBL9739459

SCHEMBL9739459

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.53
RAB9A P51151 3/20 0.48
MAPT P10636 3/20 0.48
NPC1 O15118 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 4/20 0.44
HSD17B10 Q99714 3/20 0.44
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 3/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NOD2 Q9HC29 1/20 0.37
NMT2 O60551 1/20 0.36

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
SCHEMBL9739966 0.86 ALOX5 (0.53) ALOX5L3MBTL1KDM4EHSD17B10ALDH1A1
SCHEMBL9739893 0.85 ALOX5 (0.54) ALOX5RAB9AMAPTNPC1L3MBTL1
SCHEMBL10738818 0.78 RAB9A (0.60) ALOX5RAB9AMAPTNPC1L3MBTL1
SCHEMBL6871537 0.77 RAB9A (0.62) RAB9AMAPTNPC1L3MBTL1KDM4E
SCHEMBL24756041 0.76 RAB9A (0.54) RAB9AMAPTNPC1L3MBTL1KDM4E
SCHEMBL10739810 0.76 RAB9A (0.58) RAB9AMAPTNPC1L3MBTL1KDM4E
SCHEMBL6871943 0.76 RAB9A (0.60) ALOX5RAB9AMAPTNPC1L3MBTL1
SCHEMBL10745259 0.75 ALOX5 (0.48) ALOX5RAB9AMAPTNPC1L3MBTL1
SCHEMBL3609288 0.73 RAB9A (0.50) ALOX5RAB9AMAPTNPC1L3MBTL1
SCHEMBL10742515 0.72 RAB9A (0.46) RAB9AMAPTNPC1L3MBTL1KDM4E

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