SCHEMBL7456133

SCHEMBL7456133

COc1c(C)cccc1COc1cccc(C2CC(c3ccccc3)=NN2C)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 16/20 0.56
▸ MAOA P21397 12/20 0.53
▸ EGFR P00533 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41

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
SCHEMBL7463306 0.94 MAOB (0.52) MAOBMAOAEGFRCA12CA1
SCHEMBL8441406 0.77 HTR2A (0.41) MAOBMAOA
SCHEMBL7461031 0.72 MAOB (0.73) MAOBMAOA
SCHEMBL31429939 0.71 MAOB (1.00) MAOBMAOA
SCHEMBL26162880 0.69 EGFR (0.56) MAOBMAOAEGFR
SCHEMBL17454724 0.69 MAOB (0.82) MAOBMAOA
SCHEMBL7456837 0.68 MAOB (0.73) MAOBMAOA
SCHEMBL26162897 0.67 EGFR (0.54) MAOBMAOAEGFR
SCHEMBL14081500 0.67 MAOB (1.00) MAOBMAOA
SCHEMBL14081504 0.67 MAOB (0.88) MAOBMAOACA1CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0811614-B1 Benzyloxy substituted aromatics and their use as fungicides and insecticides DOW AGROSCIENCES LLC (US) 2002-09-25 — — EP disclosed
US-5886015-A APPLYING FUNGICIDE OR INSECTICIDE TO THE LOCUS OF THE SEED, PLANT OR SOIL ROHM AND HAAS COMPANY (US) 1999-03-23 — — US disclosed
EP-0811614-A1 Benzyloxy substituted aromatics and their use as fungicides and insecticides ROHM AND HAAS COMPANY (US) 1997-12-10 — — EP disclosed
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