SCHEMBL4326528

SCHEMBL4326528

CCCCCCNCC[SiH](OC)OC

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
ALDH1A1 P00352 1/20 0.54
S1PR2 O95136 5/20 0.41
S1PR4 O95977 5/20 0.41
S1PR1 P21453 5/20 0.41
S1PR3 Q99500 5/20 0.41
S1PR5 Q9H228 1/20 0.41
EPHX1 P07099 5/20 0.40
ADH1B P00325 1/20 0.40
ADH1C P00326 1/20 0.40
ADH1A P07327 1/20 0.40
ADH4 P08319 1/20 0.40
ADH7 P40394 1/20 0.40
SIGMAR1 Q99720 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
RELA Q04206 1/20 0.34

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
SCHEMBL15004595 0.92 TSHR (0.54) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL555018 0.91 TSHR (0.46) TSHRALDH1A1S1PR2S1PR4S1PR1
Hydrochloric Acid SCHEMBL6898636 0.90 TSHR (0.52) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL15360400 0.88 TSHR (0.48) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL272669 0.85 TSHR (0.50) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL27999229 0.83 TSHR (0.46) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL15360341 0.83 TSHR (0.46) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL614388 0.81 TSHR (0.44) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL28975742 0.80 TSHR (0.39) TSHRALDH1A1CYP1A2CYP2C19CA1
Methoxymethane SCHEMBL2150575 0.79 TSHR (0.77) TSHRALDH1A1S1PR2S1PR4S1PR1

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
US-7575655-B2 improving the adhesion of silicone rubber to a substrate, comprising applying a primer to form a uniform film coverings, drying and curing the composite; comprising organosilane compounds as couplers to form a strong bond between two parts WACKER CHEMIE AG (DE) 2009-08-18 US disclosed
US-20060207723-A1 Primer for heat-curable silicone elastomers WACKER CHEMIE AG (DE) 2006-09-21 US disclosed