SCHEMBL9739329

SCHEMBL9739329

Cc1c(Cc2ccccc2)oc2ccc(O)c(O)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.55
KDM4E B2RXH2 3/20 0.47
MAPT P10636 3/20 0.47
POLB P06746 2/20 0.47
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 2/20 0.47
HTT P42858 2/20 0.47
JAK2 O60674 1/20 0.47
PKM P14618 1/20 0.47
MPI P34949 1/20 0.47
BLM P54132 1/20 0.47
MCL1 Q07820 1/20 0.47
ALDH1A1 P00352 1/20 0.46
SHBG P04278 1/20 0.42
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
ALOX15 P16050 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL9740795 0.82 ALOX5 (0.73) ALOX5KDM4EMAPTALDH1A1ALOX15
SCHEMBL2549068 0.76 ALOX5 (0.46) ALOX5KDM4EMAPTPOLBGAA
SCHEMBL9739837 0.75 MAOB (0.48) ALOX5KDM4EMAPTPOLBGAA
SCHEMBL9740770 0.71 ALOX5 (1.00) ALOX5MAPTALOX15
SCHEMBL2547561 0.71 TDP1 (0.41) ALOX5POLBSMN1; SMN2HTTALDH1A1
SCHEMBL9742547 0.71 ALOX5 (0.77) ALOX5ALOX15PTPN1
SCHEMBL9740447 0.70 ALOX5 (0.54) ALOX5ALOX15PTPN1MTNR1AMTNR1B
SCHEMBL9740691 0.69 ALOX5 (0.70) ALOX5SMN1; SMN2HTTALDH1A1LMNA
SCHEMBL9740412 0.69 ALOX5 (0.73) ALOX5MAPTLMNAALOX15CNR2
SCHEMBL10645816 0.68 IDH1 (0.47) ALOX5KDM4EMAPTPOLBGAA

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