SCHEMBL17633736

SCHEMBL17633736

CCCCO[Si](OCCCC)(OCCCC)C1=CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.33
CYP3A4 P08684 2/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
LTA4H P09960 2/20 0.31
RAB9A P51151 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
CYP1A2 P05177 3/20 0.31
CYP2C9 P11712 3/20 0.31
CYP2C19 P33261 3/20 0.31
NR5A1 Q13285 1/20 0.31
CHRM1 P11229 1/20 0.30
NPC1 O15118 2/20 0.30
CYP19A1 P11511 2/20 0.30
HSD17B10 Q99714 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL17633927 0.94 CA12 (0.33) CYP3A4LTA4HLMNANR5A1CHRM1
SCHEMBL17633676 0.92 NR5A1 (0.36) LTA4HLMNANR5A1CHRM1
SCHEMBL17633741 0.86
SCHEMBL17633672 0.83 CYP3A4 (0.32) CYP2D6CYP3A4ADRB2ADRB1ADRB3
SCHEMBL17633733 0.80 CYP3A4 (0.30) CYP2D6CYP3A4
SCHEMBL19282895 0.80 NR5A1 (0.31) CYP2D6CYP3A4LTA4HNR5A1
SCHEMBL17633851 0.79 PSMB5 (0.33)
SCHEMBL17633826 0.78 CHRM1 (0.33) LTA4HNR5A1CHRM1
SCHEMBL17633775 0.77 TSHR (0.34)
SCHEMBL17633776 0.77 TSHR (0.34)

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