SCHEMBL14760202

SCHEMBL14760202

CC(=O)[Si](CC(C)C)(C(C)=O)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA2 P00918 1/20 0.32
TSHR P16473 3/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
CA1 P00915 1/20 0.31
CACNA2D1 P54289 2/20 0.30
CACNB3 P54284 1/20 0.30
CACNA1C Q13936 1/20 0.30
PGR P06401 1/20 0.30
ADRA1A P35348 1/20 0.30
HTR2B P41595 1/20 0.30
CACNA2D2 Q9NY47 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
SCHEMBL692672 0.70 ALDH1A1 (0.36) ALDH1A1TDP1
SCHEMBL14760288 0.69 ALDH1A1 (0.32) ALDH1A1TDP1TSHR
SCHEMBL475931 0.65 TSHR (0.36) ALDH1A1TDP1TSHR
SCHEMBL2149328 0.65 TSHR (0.36) ALDH1A1TDP1TSHR
SCHEMBL149763 0.65 ALDH1A1 (0.41) ALDH1A1TDP1TSHR
SCHEMBL14760075 0.65 TSHR (0.33) ALDH1A1TDP1TSHR
SCHEMBL15864526 0.63 TSHR (0.33) ALDH1A1TDP1TSHR
SCHEMBL14760277 0.63 TRPA1 (0.44) ALDH1A1TDP1TSHR
SCHEMBL14760124 0.63 ALDH1A1 (0.39) ALDH1A1TDP1
SCHEMBL14760296 0.63 ALDH1A1 (0.37) ALDH1A1TDP1CYP2C19

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
US-20130072647-A1 OLEFIN POLYMERIZATION CATALYST AND PREPARATION METHOD AND USE THEREOF PETROCHINA COMPANY LIMITED (CN) 2013-03-21 US claimed
EP-2567986-A1 OLEFIN POLYMERIZATION CATALYST AND PREPARATION METHOD AND USE THEREOF Petrochina Company Limited (CN) 2013-03-13 EP claimed
CN-102746426-A Olefin polymerization catalyst, preparation and application thereof PETROCHINA CO LTD 2012-10-24 CN claimed
US-20130072647-A1 OLEFIN POLYMERIZATION CATALYST AND PREPARATION METHOD AND USE THEREOF PETROCHINA COMPANY LIMITED (CN) 2013-03-21 US disclosed
EP-2567986-A1 OLEFIN POLYMERIZATION CATALYST AND PREPARATION METHOD AND USE THEREOF Petrochina Company Limited (CN) 2013-03-13 EP disclosed
CN-102746426-A Olefin polymerization catalyst, preparation and application thereof PETROCHINA CO LTD 2012-10-24 CN disclosed