SCHEMBL14768680

SCHEMBL14768680

CCOP(=O)(CCNCCC[Si](C)(C)C)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.46
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
TSHR P16473 2/20 0.38
SAT1 P21673 1/20 0.37
S1PR2 O95136 5/20 0.36
S1PR4 O95977 5/20 0.36
S1PR1 P21453 5/20 0.36
S1PR3 Q99500 5/20 0.36
S1PR5 Q9H228 1/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
PLAU P00749 1/20 0.33
FPR2 P25090 1/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL16638748 0.83 PPARD (0.43) PPARDCA12CA1CA2CA9
SCHEMBL491800 0.83 PPARD (0.62) PPARDCA12CA1CA2CA9
SCHEMBL3341956 0.82 PPARD (0.52) PPARDCA12CA1CA2CA9
SCHEMBL371405 0.79 PPARD (0.48) PPARDCA12CA1CA2CA9
SCHEMBL9203519 0.78 PPARD (0.52) PPARDCA12CA1CA2CA9
SCHEMBL30604707 0.77 PPARD (0.57) PPARDCA12CA1CA2CA9
Hydrochloric Acid SCHEMBL5595849 0.77 S1PR2 (0.58) PPARDCA12CA1CA2CA9
SCHEMBL15532056 0.76 PPARD (0.65) PPARDCA12CA1CA2CA9
SCHEMBL6726806 0.74 PPARD (0.52) PPARDCA12CA1CA2CA9
SCHEMBL17750406 0.74 PPARD (0.47) PPARDCA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006372-B2 Silicone resins and their use in polymer compositions DOW CORNING (SHANGHAI) CO LTD (CN) 2015-04-14 US disclosed
US-20130065993-A1 Polymer Compositions Containing Alkoxysilanes DOW CORNING CORPORATION (US) 2013-03-14 US disclosed
US-20130066009-A1 Silicone Resins And Their Use In Polymer Compositions DOW CORNING CORPORATION (US) 2013-03-14 US disclosed