SCHEMBL9739558

SCHEMBL9739558

C=CCc1cc(Cl)c(O)c2c(C)c(C(=O)c3ccc(OC)cc3)oc12

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 0.56
ALOX15 P16050 1/20 0.41
PTPN1 P18031 1/20 0.40
SLC22A12 Q96S37 2/20 0.38
LMNA P02545 3/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HPGD P15428 2/20 0.37
POLB P06746 2/20 0.37
GAA P10253 1/20 0.37
MCL1 Q07820 2/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL9739971 0.86 ALOX5 (0.54) ALOX5ALOX15SLC22A12MAPTRAB9A
SCHEMBL9739585 0.81 ALOX5 (0.46) ALOX5PTPN1SLC22A12LMNAMAPT
SCHEMBL9740227 0.80 ALOX5 (0.65) ALOX5ALOX15SLC22A12LMNAMAPT
SCHEMBL9739430 0.76 ALOX5 (0.53) ALOX5ALOX15SLC22A12LMNAMAPT
SCHEMBL9739654 0.74 KMT2A (0.47) ALOX5PTPN1LMNAMAPTKDM4E
SCHEMBL9741450 0.71 ALOX5 (1.00) ALOX5ALOX15SMN1; SMN2ALDH1A1
SCHEMBL9740828 0.71 MAPT (0.42) ALOX5LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL10460563 0.70 KDM4E (0.47) SLC22A12LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL9741193 0.68 ALOX5 (0.61) ALOX5ALOX15SLC22A12LMNAMAPT
SCHEMBL9740078 0.67 EDNRA (0.48) MAPTKDM4ESMN1; SMN2RAB9AMEN1

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