SCHEMBL9740261

SCHEMBL9740261

CCCc1ccc(OCc2ccccc2)c2c(C)c(C(=O)c3ccc(OC)cc3)oc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.45
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
MAOB P27338 2/20 0.43
MTNR1A P48039 3/20 0.42
ATM Q13315 1/20 0.42
MTNR1B P49286 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ABCB1 P08183 1/20 0.41
CYP2C9 P11712 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 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
SCHEMBL9740539 0.83 MAOB (0.47) MEN1POLBKMT2ACTDSP1MAOB
SCHEMBL9739430 0.76 ALOX5 (0.53) MEN1POLBKMT2ANPC1RAB9A
SCHEMBL9741193 0.74 ALOX5 (0.61) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL9739971 0.73 ALOX5 (0.54) RAB9A
SCHEMBL9740227 0.71 ALOX5 (0.65) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL10742515 0.69 RAB9A (0.46) EDNRANPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL9550389 0.67 GLA (0.48) MEN1POLBKMT2ANPC1RAB9A
SCHEMBL9740982 0.67 NPC1 (0.56) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL542660 0.66 PTGER1 (0.56) MEN1POLBKMT2ANPC1RAB9A
SCHEMBL541510 0.66 HPGD (0.54) MEN1KMT2AMTNR1AMTNR1BNPC1

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