SCHEMBL9784020

SCHEMBL9784020

CC(C)B(c1ccccc1)c1ccccc1CBr.CCOC(C)Cn1ccnc1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 3/20 0.37
▸ CYP26A1 O43174 3/20 0.36
▸ CYP11B1 P15538 2/20 0.35
▸ CYP11B2 P19099 2/20 0.35
▸ CYP19A1 P11511 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL9783113 0.88 CYP26A1 (0.41) IDO1CYP26A1CYP11B1CYP11B2CYP19A1
SCHEMBL9783431 0.79 CYP11B1 (0.39) CYP26A1CYP11B1CYP11B2CYP19A1ALDH1A1
SCHEMBL8384948 0.74 FDPS (0.43) CYP26A1CYP11B1CYP11B2CYP19A1ALDH1A1
SCHEMBL9783748 0.73 CYP26A1 (0.37) IDO1CYP26A1CYP11B1CYP11B2CYP19A1
SCHEMBL9783271 0.69 CYP11B1 (0.43) CYP11B1CYP11B2CYP19A1
SCHEMBL9783696 0.68 CYP26A1 (0.42) CYP26A1CYP19A1ALDH1A1GAAMAPK1
SCHEMBL9783565 0.67 CYP19A1 (0.37) CYP11B1CYP11B2CYP19A1ALDH1A1MAPK1
SCHEMBL9783138 0.67 CYP11B1 (0.37) CYP26A1CYP11B1CYP11B2CYP19A1ALDH1A1
SCHEMBL9783902 0.67 CYP11B1 (0.32) CYP11B1CYP11B2
SCHEMBL9783213 0.67 CYP17A1 (0.36) CYP26A1CYP11B1CYP11B2CYP19A1ALDH1A1

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
US-5051514-A Complexing boranes and imidazoles CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1991-09-24 — — US disclosed
EP-0432987-A2 Fungicidal organoborane imidazole compounds and intermediates therefor CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1991-06-19 — — EP disclosed
US-4983589-A Fungicidal imidazole diphenylaliphaticboranes and derivatives thereof CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1991-01-08 — — US disclosed
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