SCHEMBL14760330

SCHEMBL14760330

CCCCC#C[Si](C)(C(C)=O)C(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.40
PTPN7 P35236 5/20 0.38
ALDH1A1 P00352 3/20 0.36
RECQL P46063 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CES1 P23141 2/20 0.32
CYP3A4 P08684 1/20 0.32
THRB P10828 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL14760022 0.87 GRIK1 (0.31)
SCHEMBL15662680 0.75 HMGCR (0.37) HMGCRPTPN7ALDH1A1RECQLTDP1
SCHEMBL588584 0.72 TSHR (0.39) HMGCRPTPN7ALDH1A1RECQLTDP1
Oxalic Acid SCHEMBL5367389 0.72 HMGCR (0.38) HMGCRPTPN7ALDH1A1RECQLTDP1
SCHEMBL10566659 0.69 TSHR (0.41) HMGCRPTPN7ALDH1A1RECQLTDP1
Bicarbonate SCHEMBL15967929 0.69 PTPN7 (0.60) HMGCRPTPN7ALDH1A1RECQLTDP1
SCHEMBL996455 0.69
SCHEMBL10566631 0.66 TSHR (0.38) HMGCRPTPN7TSHR
SCHEMBL9794741 0.66 TSHR (0.38) HMGCRPTPN7TDP1TSHR
SCHEMBL16594184 0.66 HMGCR (0.47) HMGCRPTPN7ALDH1A1RECQLTDP1

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 4 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
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