SCHEMBL10910702

SCHEMBL10910702

OCCOc1ccc2c(c1)oc1cc(Cl)ccc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ AHR P35869 1/20 0.49
▸ MAOB P27338 7/20 0.45
▸ MAOA P21397 2/20 0.45
▸ ALDH2 P05091 1/20 0.45
▸ HRH3 Q9Y5N1 5/20 0.45
▸ ACHE P22303 1/20 0.43
▸ PRKDC P78527 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.43

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
SCHEMBL10910493 0.86 AHR (0.50) AHRMAOBMAOAHRH3ACHE
SCHEMBL10908449 0.83 AHR (0.47) AHRMAOBMAOAALDH2HRH3
SCHEMBL10648717 0.83 MAOB (0.52) AHRMAOBHRH3ACHE
SCHEMBL11049325 0.81 ALDH2 (0.60) CA12CA1CA9MAOBMAOA
SCHEMBL11102528 0.78 AHR (0.45) AHRMAOBMAOAACHEKDM4E
Bromide SCHEMBL11094492 0.77 CHRNA7 (0.44) AHRMAOBMAOAACHEPRKDC
SCHEMBL11095923 0.77 AHR (0.47) CA1AHRALDH1A1
SCHEMBL11472643 0.76 MAOB (0.49) AHRMAOBHRH3ACHE
SCHEMBL11089375 0.76 MAOB (0.66) MAOBHRH3ACHE
SCHEMBL11102156 0.76 AHR (0.46) AHRMAOBMAOAACHEKDM4E

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
EP-0094566-B1 DIBENZOFURANYLOXYALKANE-IMIDAZOLIUM SALTS, PROCESS FOR THEIR PREPARATION AND THEIR MICROBICIDAL APPLICATION BASF Aktiengesellschaft (DE) 1986-03-12 — — EP disclosed
US-4497819-A BACTERICIDES, FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1985-02-05 — — US disclosed
EP-0094566-A1 Dibenzofuranyloxyalkane-imidazolium salts, process for their preparation and their microbicidal application BASF Aktiengesellschaft (DE) 1983-11-23 — — EP disclosed
US-4376776-A Dibenzofuran derivatives and their use for controlling fungi BASF AKTIENGESELLSCHAFT (DE) 1983-03-15 — — US disclosed
EP-0057362-A1 Dibenzofurane derivatives, process for their preparation and their use as fungicides BASF Aktiengesellschaft (DE) 1982-08-11 — — EP disclosed
Send feedback