SCHEMBL333789

SCHEMBL333789

CCCCC(CC)C(=O)CCC(=S)[Si](OCC)(OCC)OCC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.42
CA1 P00915 4/20 0.42
MAPK1 P28482 1/20 0.42
TSHR P16473 3/20 0.33
ATM Q13315 2/20 0.33
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
USP2 O75604 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
GAA P10253 1/20 0.30
XBP1 P17861 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL333790 0.73 CA2 (0.42) CA2CA1MAPK1TSHRATM
SCHEMBL9578928 0.73 CA2 (0.61) CA2CA1MAPK1
SCHEMBL812448 0.73 CA2 (0.61) CA2CA1MAPK1SLC1A3SLC1A2
SCHEMBL29052509 0.72 CA2 (0.61) CA2CA1MAPK1TSHRTDP1
SCHEMBL13679327 0.71 CA2 (0.59) CA2CA1MAPK1
SCHEMBL8369201 0.70 CA2 (0.57) CA2CA1MAPK1
SCHEMBL8423880 0.68 CA2 (0.54) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL10031685 0.67 CA2 (0.64) CA2CA1MAPK1USP2SLC1A3
SCHEMBL29153274 0.67 CA2 (0.64) CA2CA1MAPK1TSHRUSP2
SCHEMBL11085289 0.67 CA2 (0.53) CA2CA1MAPK1TSHRTDP1

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
EP-1560836-B1 PROCESS FOR MANUFACTURE OF BLOCKED MERCAPTOSILANE COUPLING AGENTS MOMENTIVE PERFORMANCE MAT INC (US) 2015-12-30 EP disclosed
US-8097743-B2 Process for manufacture of blocked mercaptosilane coupling agents MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2012-01-17 US disclosed
US-20050245754-A1 Process for manufacture of blocked mercaptosilane coupling agents MOMENTIVE PERFORMANCE MATERIALS INC. 2005-11-03 US disclosed
EP-1560836-A1 PROCESS FOR MANUFACTURE OF BLOCKED MERCAPTOSILANE COUPLING AGENTS GENERAL ELECTRIC COMPANY (US) 2005-08-10 EP disclosed
WO-2005007660-A1 PROCESS FOR MANUFACTURE OF BLOCKED MERCAPTOSILANE COUPLING AGENTS GENERAL ELECTRIC COMPANY (US) 2005-01-27 WO disclosed