SCHEMBL9677161

SCHEMBL9677161

C=CB(c1ccccc1)c1ccccc1.c1ccc([Si](Cn2ccnc2)(c2ccccc2)C2CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.37
CYP11B2 P19099 8/20 0.37
TBXAS1 P24557 4/20 0.37
CYP19A1 P11511 4/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
QPCT Q16769 1/20 0.37
CYP4Z1 Q86W10 1/20 0.37
QPCTL Q9NXS2 1/20 0.37
CYP17A1 P05093 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL9676121 0.95 CYP11B1 (0.36) CYP11B1CYP11B2TBXAS1CYP19A1CYP1A2
SCHEMBL9677645 0.95 CYP11B1 (0.36) CYP11B1CYP11B2TBXAS1CYP19A1CYP1A2
SCHEMBL9675858 0.94 CYP2B6 (0.36) CYP11B1CYP11B2TBXAS1CYP19A1CYP1A2
SCHEMBL9677226 0.87 CYP11B1 (0.41) CYP11B1CYP11B2TBXAS1CYP19A1CYP1A2
SCHEMBL9675702 0.84 CYP11B1 (0.40) CYP11B1CYP11B2TBXAS1CYP19A1CYP1A2
SCHEMBL9675031 0.84 CYP11B1 (0.41) CYP11B1CYP11B2TBXAS1CYP19A1CYP1A2
SCHEMBL9678009 0.83 CYP11B1 (0.39) CYP11B1CYP11B2TBXAS1CYP19A1CYP1A2
SCHEMBL9680217 0.83 CYP11B1 (0.42) CYP11B1CYP11B2TBXAS1CYP19A1CYP1A2
SCHEMBL9676897 0.82 CYP11B1 (0.40) CYP11B1CYP11B2TBXAS1CYP19A1CYP1A2
SCHEMBL9676938 0.81 CYP2B6 (0.40) 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 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