SCHEMBL9784052

SCHEMBL9784052

ClC=CCB(c1ccccc1)c1ccccc1.ClC=CCn1ccnc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 8/20 0.45
▸ CYP11B2 P19099 7/20 0.45
▸ TBXAS1 P24557 6/20 0.45
▸ CYP19A1 P11511 4/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ QPCT Q16769 1/20 0.45
▸ CYP4Z1 Q86W10 1/20 0.45
▸ QPCTL Q9NXS2 1/20 0.45
▸ CYP17A1 P05093 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
SCHEMBL9783048 0.82 ALOX15 (0.35) CYP11B1CYP11B2TBXAS1CYP19A1CYP1A2
SCHEMBL9784114 0.82 TBXAS1 (0.55) TBXAS1CYP19A1
SCHEMBL9783715 0.82 CYP11B1 (0.43) CYP11B1CYP11B2TBXAS1CYP19A1CYP1A2
SCHEMBL9783951 0.80 CYP19A1 (0.43) TBXAS1CYP19A1QPCT
SCHEMBL9783748 0.79 CYP26A1 (0.37) CYP11B1CYP11B2TBXAS1CYP19A1CYP1A2
SCHEMBL9784047 0.79 CYP11B1 (0.40) CYP11B1CYP11B2TBXAS1CYP19A1CYP1A2
SCHEMBL9808742 0.77 NOTUM (0.56) CYP11B1CYP11B2TBXAS1CYP19A1CYP1A2
SCHEMBL9783428 0.77 CYP3A4 (0.43) CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL9783883 0.75 CYP11B1 (0.35) CYP11B1CYP11B2CYP19A1QPCT
SCHEMBL9783901 0.71 ALOX15 (0.43) CYP11B1CYP11B2TBXAS1CYP19A1CYP1A2

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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