SCHEMBL9739829

SCHEMBL9739829

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

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 0.60
ALOX15 P16050 1/20 0.53
MCL1 Q07820 3/20 0.39
GPR35 Q9HC97 1/20 0.38
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36
PTPN1 P18031 1/20 0.35
PTPN11 Q06124 1/20 0.35
EDNRA P25101 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
SCHEMBL9739893 0.86 ALOX5 (0.54) ALOX5ALOX15ALDH1A1KDM4E
SCHEMBL9739966 0.84 ALOX5 (0.53) ALOX5ALOX15MCL1GPR35ALDH1A1
SCHEMBL10739817 0.84 ALOX5 (0.42) ALOX5ALOX15MCL1GPR35ALDH1A1
SCHEMBL9740227 0.80 ALOX5 (0.65) ALOX5ALOX15ALDH1A1KDM4E
SCHEMBL9739801 0.77 ALOX5 (0.67) ALOX5ALOX15ALDH1A1KDM4E
SCHEMBL10603436 0.76 ALOX5 (0.78) ALOX5ALOX15ALDH1A1
SCHEMBL9740342 0.75 ALOX5 (1.00) ALOX5ALOX15ALDH1A1KDM4EGLA
SCHEMBL9740324 0.73 ALOX5 (1.00) ALOX5ALOX15
SCHEMBL9739648 0.73 ALOX5 (0.87) ALOX5ALOX15
SCHEMBL9739591 0.72 ALOX5 (1.00) ALOX5ALOX15PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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