SCHEMBL9740539

SCHEMBL9740539

CCCc1c(OCc2ccccc2)ccc2c(C)c(C(=O)c3ccc(OC)cc3)oc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.47
POLB P06746 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
MTNR1A P48039 1/20 0.42
PPARA Q07869 1/20 0.42
CYP2C9 P11712 2/20 0.42
ATM Q13315 1/20 0.42
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PDE5A O76074 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 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
SCHEMBL9740261 0.83 EDNRA (0.45) MAOBPOLBMEN1KMT2ACTDSP1
SCHEMBL9740626 0.81 ALOX5 (0.45) MAOBPOLBMEN1KMT2ACTDSP1
SCHEMBL6559983 0.70 MAOB (0.43) MAOBPOLBHPGDSMN1; SMN2PDE5A
SCHEMBL28208757 0.70 MAOB (0.66) MAOBPOLBMEN1KMT2AHPGD
SCHEMBL8550306 0.70 MAOB (0.62) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL9550389 0.69 GLA (0.48) POLBMEN1KMT2ACYP2C9HPGD
SCHEMBL10972521 0.69 PDE5A (0.55) MEN1KMT2APPARAHPGDPDE5A
SCHEMBL7041646 0.69 PPARA (0.53) PPARA
SCHEMBL11043259 0.69 PDE5A (0.52) MAOBPOLBMEN1KMT2AMTNR1A
SCHEMBL11038374 0.68 PDE5A (0.51) POLBMEN1KMT2APPARAHPGD

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