SCHEMBL5074140

SCHEMBL5074140

C=C(C)C(=O)OCCCC[SiH](OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.50
POLB P06746 1/20 0.50
APEX1 P27695 1/20 0.50
HTT P42858 1/20 0.50
TSHR P16473 3/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP3A4 P08684 1/20 0.40
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KMT2A Q03164 1/20 0.36
THRB P10828 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
GAA P10253 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL28484635 0.85 TDP1 (0.51) TDP1POLBAPEX1HTTTSHR
SCHEMBL6384289 0.82 TDP1 (0.52) TDP1POLBAPEX1HTTTSHR
SCHEMBL1427400 0.81 TDP1 (0.56) TDP1POLBAPEX1HTTTSHR
SCHEMBL316676 0.79 NAAA (0.49) TDP1POLBAPEX1HTTTSHR
SCHEMBL146245 0.79 POLB (0.55) TDP1POLBAPEX1HTTTSHR
SCHEMBL13901213 0.78 TDP1 (0.49) TDP1POLBAPEX1HTTTSHR
SCHEMBL7107538 0.78 TSHR (0.67) TDP1POLBAPEX1HTTTSHR
SCHEMBL28476399 0.78 TSHR (0.67) TDP1POLBAPEX1HTTTSHR
SCHEMBL18990497 0.78 TSHR (0.67) TDP1POLBAPEX1HTTTSHR
SCHEMBL28154418 0.78 TSHR (0.67) TDP1POLBAPEX1HTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1323775-B1 DIENE RUBBER/INORGANIC COMPOUND COMPOSITE AND METHOD FOR PRODUCING THE SAME AND RUBBER COMPOSITION JSR CORP (JP) 2008-04-30 EP disclosed
EP-1205506-B1 Rubber composition and methods for producing the same JSR CORP (JP) 2004-12-29 EP disclosed
US-6740700-B2 KNEADING FORMULATION COMPRISING A RUBBER COMPONENT CONTAINING CONJUGATED DIENE-BASED RUBBER AND A SILICA; KNEADING SILANE COUPLING AGENT AND FIRST RUBBER, KNEADING SECOND RUBBER FORMULATION, ZINC OXIDE AND VULCANIZING AGENT JSR CORPORATION (JP) 2004-05-25 US disclosed
US-20040030027-A1 Diene rubber/inorganic compound composite and method for producing the same and rubber composition BRIDGESTONE CORPORATION (JP) 2004-02-12 US disclosed
EP-1323775-A1 DIENE RUBBER/INORGANIC COMPOUND COMPOSITE AND METHOD FOR PRODUCING THE SAME AND RUBBER COMPOSITION JSR Corporation (JP) 2003-07-02 EP disclosed
US-20020082334-A1 Rubber composition and methods for producing the same JSR CORPORATION (JP) 2002-06-27 US disclosed