SCHEMBL9676121

SCHEMBL9676121

C=CB(c1ccccc1)c1ccccc1.c1ccc([Si](Cn2ccnc2)(c2ccccc2)C2CCCC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.36
CYP11B2 P19099 4/20 0.36
CYP19A1 P11511 5/20 0.35
TBXAS1 P24557 5/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
QPCT Q16769 1/20 0.35
CYP4Z1 Q86W10 1/20 0.35
QPCTL Q9NXS2 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP17A1 P05093 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
SCHEMBL9675858 0.99 CYP2B6 (0.36) CYP11B1CYP11B2CYP19A1TBXAS1CYP1A2
SCHEMBL9677645 0.98 CYP11B1 (0.36) CYP11B1CYP11B2CYP19A1TBXAS1CYP1A2
SCHEMBL9677161 0.95 CYP11B1 (0.37) CYP11B1CYP11B2CYP19A1TBXAS1CYP1A2
SCHEMBL9676897 0.87 CYP11B1 (0.40) CYP11B1CYP11B2CYP19A1TBXAS1CYP1A2
SCHEMBL9676938 0.86 CYP2B6 (0.40) CYP11B1CYP11B2CYP19A1TBXAS1CYP1A2
SCHEMBL9677154 0.85 CYP11B1 (0.38) CYP11B1CYP11B2CYP19A1TBXAS1CYP1A2
SCHEMBL9675582 0.84 CYP19A1 (0.37) CYP11B1CYP11B2CYP19A1TBXAS1CYP1A2
SCHEMBL9675282 0.84 CYP2B6 (0.39) CYP11B1CYP11B2CYP19A1TBXAS1CYP1A2
SCHEMBL9675514 0.83 CYP2B6 (0.38) CYP11B1CYP11B2CYP19A1TBXAS1CYP1A2
SCHEMBL9675800 0.83 CYP11B1 (0.38) CYP11B1CYP11B2CYP19A1TBXAS1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0490703-A1 Trisubstituted silylalkyl 1,2,4-triazole and imidazole phenyl borane derivatives CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1992-06-17 EP disclosed
US-5091377-A Trisubstituted silylalkyl 1,2,4-triazole and imidazole phenyl borane derivatives CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1992-02-25 US disclosed