SCHEMBL114686

SCHEMBL114686

C=CC(=O)NC(CC)C[SiH](OCC)OCC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
ACACB O00763 2/20 0.35
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP8 P22894 1/20 0.30
CA9 Q16790 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
SCHEMBL8768878 0.85 TSHR (0.41) TSHRACACBTAS1R3TAS1R1ZDHHC20
SCHEMBL5170699 0.78 TSHR (0.56) TSHRACACBTAS1R3TAS1R1ZDHHC20
SCHEMBL2144271 0.78 TSHR (0.44) TSHRACACBTAS1R3TAS1R1ZDHHC20
SCHEMBL962711 0.78 CAD (0.37) TAS1R3TAS1R1CA12CA1CA2
SCHEMBL25250018 0.75 TSHR (0.52) TSHRACACBTAS1R3TAS1R1ZDHHC20
SCHEMBL21909974 0.73 TSHR (0.50) TSHRACACBTAS1R3TAS1R1ZDHHC20
SCHEMBL2938364 0.73 TSHR (0.50) TSHRACACBTAS1R3TAS1R1ZDHHC20
SCHEMBL28380452 0.73 TSHR (0.31) TSHRALDH1A1
SCHEMBL7594351 0.73 TAS1R3 (0.51) TSHRACACBTAS1R3TAS1R1ZDHHC20
SCHEMBL6566575 0.72 TAS1R3 (0.50) TSHRTAS1R3TAS1R1ZDHHC20ZDHHC2

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-20120065319-A1 Elastomer Compositions Modified By Silanes DOW CORNING EUROPE SA (BE) 2012-03-15 US disclosed
EP-2424739-A1 ELASTOMER COMPOSITIONS MODIFIED BY SILANES Dow Corning Corporation (US) 2012-03-07 EP disclosed
WO-2010125124-A1 ELASTOMER COMPOSITIONS MODIFIED BY SILANES DOW CORNING CORPORATION (US) 2010-11-04 WO disclosed