SCHEMBL9739430

SCHEMBL9739430

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 9/20 0.53
▸ ALOX15 P16050 1/20 0.52
▸ SLC22A12 Q96S37 3/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ KDM4E B2RXH2 4/20 0.42
▸ LMNA P02545 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ HPGD P15428 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ FPR1 P21462 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ TDP1 Q9NUW8 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
SCHEMBL9740227 0.90 ALOX5 (0.65) ALOX5ALOX15SLC22A12CYP2C9KDM4E
SCHEMBL9739971 0.90 ALOX5 (0.54) ALOX5ALOX15SLC22A12MAPTRAB9A
SCHEMBL9741193 0.85 ALOX5 (0.61) ALOX5ALOX15SLC22A12CYP2C9KDM4E
SCHEMBL9739632 0.77 ALOX5 (0.85) ALOX5ALOX15
SCHEMBL9741489 0.77 ALOX5 (0.48) ALOX5ALOX15CYP2C9KDM4ELMNA
SCHEMBL9739558 0.76 ALOX5 (0.56) ALOX5ALOX15SLC22A12KDM4ELMNA
SCHEMBL9740261 0.76 EDNRA (0.45) CYP2C9KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL10739817 0.74 ALOX5 (0.42) ALOX5ALOX15KDM4EALDH1A1HSD17B10
SCHEMBL10460563 0.74 KDM4E (0.47) SLC22A12CYP2C9KDM4ELMNASMN1; SMN2
SCHEMBL10513827 0.73 ALOX5 (0.45) ALOX5ALOX15SLC22A12KDM4ELMNA

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
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