SCHEMBL4454658

SCHEMBL4454658

CCCCCCCCCCCCCCCCCC[Sn+2]CCCCCCCCCCCCCCCCCC.O=C([O-])CC(Cc1ccccc1)(OCc1ccccc1)C(=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 4/20 0.43
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPSE Q9Y251 1/20 0.34
EPHX2 P34913 1/20 0.34
CTRC Q99895 1/20 0.34
PTPN1 P18031 1/20 0.34
CDC25B P30305 1/20 0.34
TYR P14679 2/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33

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
SCHEMBL674007 1.00 CETP (0.43) CETPMEN1KMT2AMMP1MMP9
SCHEMBL4446737 1.00 CETP (0.43) CETPMEN1KMT2AMMP1MMP9
SCHEMBL674472 0.95 CETP (0.40) CETPMEN1KMT2AMMP1MMP9
SCHEMBL675408 0.82 PTPN1 (0.35) MEN1KMT2ATDP1ALDH1A1MAPK1
SCHEMBL673999 0.82 ALDH1A1 (0.37) CETPTDP1ALDH1A1CYP3A4TSHR
SCHEMBL673686 0.81 ALDH1A1 (0.36) CETPMEN1KMT2AALDH1A1CYP3A4
SCHEMBL673482 0.81 ATM (0.34) TDP1ALDH1A1TSHRPTPN1
SCHEMBL675638 0.80 ATM (0.36) TDP1ALDH1A1CYP3A4TSHRPTPN1
SCHEMBL672705 0.80 PTPN1 (0.35) MEN1KMT2ATDP1ALDH1A1MAPK1
SCHEMBL675544 0.74 HDAC3 (0.40) CETPMEN1KMT2AMMP1MMP9

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-1958980-B1 THERMOPLASTIC ELASTOMER COMPOSITION, FOAM PRODUCT, AND PROCESS FOR PRODUCTION OF THE COMPOSITION OR FOAM PRODUCT JSR CORP (JP) 2012-10-31 EP disclosed
US-20090270525-A1 THERMOPLASTIC ELASTOMER COMPOSITION, FOAM PRODUCT, AND PROCESS FOR PRODUCTION OF THE COMPOSITION OR FOAM PRODUCT JSR CORPORATION (JP) 2009-10-29 US disclosed
EP-1958980-A1 THERMOPLASTIC ELASTOMER COMPOSITION, FOAM PRODUCT, AND PROCESS FOR PRODUCTION OF THE COMPOSITION OR FOAM PRODUCT JSR Corporation (JP) 2008-08-20 EP disclosed