SCHEMBL9740447

SCHEMBL9740447

CCCc1c(O)ccc2oc(Cc3ccc(O)cc3)c(C)c12

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 13/20 0.54
ALOX15 P16050 1/20 0.43
PTPN1 P18031 2/20 0.43
HSD17B3 P37058 1/20 0.39
ACP1 P24666 1/20 0.37
MTNR1A P48039 1/20 0.35
MTNR1B P49286 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
SCHEMBL9740856 0.90 ALOX5 (0.52) ALOX5ALOX15PTPN1
SCHEMBL9739633 0.87 ALOX5 (0.72) ALOX5ALOX15MTNR1AMTNR1B
SCHEMBL9742547 0.82 ALOX5 (0.77) ALOX5ALOX15PTPN1
SCHEMBL9740412 0.72 ALOX5 (0.73) ALOX5ALOX15
SCHEMBL9740795 0.71 ALOX5 (0.73) ALOX5ALOX15PTPN1MTNR1AMTNR1B
SCHEMBL9739648 0.71 ALOX5 (0.87) ALOX5ALOX15HSD17B3
SCHEMBL9740040 0.70 ALOX5 (1.00) ALOX5ALOX15MTNR1AMTNR1B
SCHEMBL9739329 0.70 ALOX5 (0.55) ALOX5ALOX15PTPN1MTNR1AMTNR1B
SCHEMBL9740431 0.69 ALOX5 (0.61) ALOX5ALOX15MTNR1AMTNR1B
SCHEMBL9740691 0.69 ALOX5 (0.70) ALOX5ALOX15

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 5 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-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