SCHEMBL17633672

SCHEMBL17633672

CCCCO[Si](OCCCC)(OCCCC)C1=CCC1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CHRM1 P11229 1/20 0.31
LMNA P02545 1/20 0.30
NPY1R P25929 1/20 0.30
NPY2R P49146 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 1/20 0.30

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
SCHEMBL17633826 0.94 CHRM1 (0.33) CHRM1
SCHEMBL17633812 0.92 CHRM1 (0.35) CHRM1LMNA
SCHEMBL17633733 0.89 CYP3A4 (0.30) CYP3A4CYP2D6
SCHEMBL17633791 0.88
SCHEMBL17633851 0.87 PSMB5 (0.33)
SCHEMBL17633775 0.85 TSHR (0.34)
SCHEMBL17633858 0.85 TSHR (0.34)
SCHEMBL17633776 0.85 TSHR (0.34)
SCHEMBL17633736 0.83 CYP2D6 (0.33) CYP3A4CYP2D6CYP1A2CYP19A1CYP2C9
SCHEMBL17633883 0.83 LTA4H (0.32) CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11028256-B2 Silica-containing rubber compositions containing specified coupling agents and related methods BRIDGESTONE AMERICAS TIRE OPERATIONS, LLC (US) 2021-06-08 US disclosed
US-20200123349-A1 SILICA-CONTAINING RUBBER COMPOSITIONS CONTAINING SPECIFIED COUPLING AGENTS AND RELATED METHODS BRIDGESTONE AMERICAS TIRE OPERATIONS, LLC (US) 2020-04-23 US disclosed
US-20170247532-A1 SILICA-CONTAINING RUBBER COMPOSITIONS CONTAINING SPECIFIED COUPLING AGENTS AND RELATED METHODS BRIDGESTONE AMERICAS TIRE OPERATIONS, LLC 2017-08-31 US disclosed
EP-3197950-A1 SILICA-CONTAINING RUBBER COMPOSITIONS CONTAINING SPECIFIED COUPLING AGENTS AND RELATED METHODS Bridgestone Americas Tire Operations, LLC (US) 2017-08-02 EP disclosed
WO-2016048935-A1 SILICA-CONTAINING RUBBER COMPOSITIONS CONTAINING SPECIFIED COUPLING AGENTS AND RELATED METHODS BRIDGESTONE AMERICAS TIRE OPERATIONS, LLC (US) 2016-03-31 WO disclosed