SCHEMBL9740626

SCHEMBL9740626

CCCc1c(OCc2ccccc2)ccc2c(C)c(Cc3ccc(OC)cc3)oc12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 8/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ ABCB1 P08183 1/20 0.44
▸ MAOB P27338 1/20 0.43
▸ POLB P06746 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ LTA4H P09960 1/20 0.40
▸ PDE5A O76074 1/20 0.40
▸ P2RY12 Q9H244 1/20 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
SCHEMBL9740539 0.81 MAOB (0.47) ALDH1A1KDM4EHTTHPGDSMN1; SMN2
SCHEMBL9740900 0.79 ALOX5 (0.56) ALOX5ALOX15
SCHEMBL9727459 0.73 L3MBTL1 (0.58) ALOX5ALDH1A1KDM4EMAOBMEN1
SCHEMBL6559983 0.71 MAOB (0.43) ALDH1A1KDM4EHTTHPGDSMN1; SMN2
SCHEMBL7038827 0.70 PPARA (0.46) —
SCHEMBL10972035 0.69 PDE5A (0.52) ALDH1A1KDM4EHTTHPGDSMN1; SMN2
SCHEMBL6561528 0.67 KDM4E (0.49) ALDH1A1KDM4EMAOBPOLBPDE5A
SCHEMBL7041646 0.67 PPARA (0.53) —
SCHEMBL9118750 0.67 MAOB (0.47) MAOBGAAPDE5AP2RY12
SCHEMBL6559981 0.66 PDE5A (0.48) ALDH1A1KDM4EHPGDPOLBKMT2A

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
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