SCHEMBL9783313

SCHEMBL9783313

CC(C)Oc1ccccc1C(CCCBc1ncc(C(C)(C)C)[nH]1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.33
▸ KMT2A Q03164 6/20 0.33
▸ CYP19A1 P11511 2/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 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
SCHEMBL9783774 0.85 HRH1 (0.38) CYP19A1
SCHEMBL9783571 0.76 CYP19A1 (0.40) CYP19A1
SCHEMBL9783731 0.67 CYP19A1 (0.50) CYP19A1
SCHEMBL9783323 0.63 HRH3 (0.41) CYP19A1
SCHEMBL9783336 0.59 CYP19A1 (0.40) CYP19A1
SCHEMBL9783508 0.58 CYP19A1 (0.38) CYP19A1
SCHEMBL9783783 0.57 CYP19A1 (0.48) CYP19A1
SCHEMBL2762659 0.56 GAA (0.43) CYP19A1
SCHEMBL8245039 0.56 NISCH (0.49) MEN1KMT2A
SCHEMBL9223145 0.55 HTR2A (0.47) MEN1KMT2AOPRM1OPRD1

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
Send feedback