SCHEMBL688180

SCHEMBL688180

CCC(S)[Si](OC)(OC)OC.O=C(O)CCSSCCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
LMNA P02545 2/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
FOLH1 Q04609 2/20 0.33
FFAR3 O14843 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
APEX1 P27695 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
SCHEMBL284612 0.77
SCHEMBL4440529 0.67
SCHEMBL95982 0.67 TSHR (1.00) TSHRLMNAKMT2AHSD17B10TDP1
SCHEMBL17644802 0.66
SCHEMBL20163989 0.66
SCHEMBL2611585 0.66 TSHR (0.72) TSHRLMNAKMT2AHSD17B10TDP1
SCHEMBL9257453 0.66
Acetic Acid SCHEMBL6932730 0.65 TSHR (0.81) TSHRLMNAKMT2AHSD17B10TDP1
SCHEMBL8603684 0.65 TSHR (0.62) TSHRLMNAKMT2AHSD17B10TDP1
SCHEMBL720967 0.65

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
EP-2080063-B1 METHOD AND FORMULATION FOR REINFORCING ELASTOMERS COOPER TIRE & RUBBER CO (US) 2012-02-29 EP disclosed
EP-2080063-A2 METHOD AND FORMULATION FOR REINFORCING ELASTOMERS Cooper Tire & Rubber Company (US) 2009-07-22 EP disclosed
WO-2008057533-A2 METHOD AND FORMULATION FOR REINFORCING ELASTOMERS COOPER TIRE & RUBBER COMPANY (US) 2008-05-15 WO disclosed