SCHEMBL9740227

SCHEMBL9740227

CCCc1cc(Cl)c2oc(C(=O)c3ccc(OC)cc3)c(C)c2c1O

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 16/20 0.65
ALOX15 P16050 1/20 0.65
SLC22A12 Q96S37 2/20 0.41
CYP2C9 P11712 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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 0.92 ALOX5 (0.54) ALOX5ALOX15SLC22A12MAPTRAB9A
SCHEMBL9739430 0.90 ALOX5 (0.53) ALOX5ALOX15SLC22A12CYP2C9KDM4E
SCHEMBL9741193 0.82 ALOX5 (0.61) ALOX5ALOX15SLC22A12CYP2C9KDM4E
SCHEMBL10513827 0.82 ALOX5 (0.45) ALOX5ALOX15SLC22A12KDM4EMEN1
SCHEMBL9739829 0.80 ALOX5 (0.60) ALOX5ALOX15KDM4EALDH1A1
SCHEMBL9739558 0.80 ALOX5 (0.56) ALOX5ALOX15SLC22A12KDM4EMEN1
SCHEMBL9739893 0.79 ALOX5 (0.54) ALOX5ALOX15KDM4ENPC1ALDH1A1
SCHEMBL6009815 0.79 ALOX5 (1.00) ALOX5ALOX15ALDH1A1
SCHEMBL30095994 0.79 ALOX5 (1.00) ALOX5ALOX15ALDH1A1
SCHEMBL9739868 0.79 ALOX5 (0.84) ALOX5ALOX15ALDH1A1

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