SCHEMBL673999

SCHEMBL673999

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
CA2 P00918 3/20 0.37
CYP3A4 P08684 2/20 0.37
CTSK P43235 4/20 0.35
CETP P11597 3/20 0.35
CTSL P07711 2/20 0.35
CTSB P07858 1/20 0.35
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 2/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
CTSS P25774 1/20 0.33
CNR2 P34972 1/20 0.33
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL674472 0.84 CETP (0.40) ALDH1A1CYP3A4CTSKCETPCTSL
SCHEMBL673482 0.83 ATM (0.34) ALDH1A1CTSKKDM4EALOX5TSHR
SCHEMBL674007 0.82 CETP (0.43) ALDH1A1CYP3A4CETPMAPK1TSHR
SCHEMBL4454658 0.82 CETP (0.43) ALDH1A1CYP3A4CETPMAPK1TSHR
SCHEMBL4446737 0.82 CETP (0.43) ALDH1A1CYP3A4CETPMAPK1TSHR
SCHEMBL675638 0.78 ATM (0.36) ALDH1A1CYP3A4KDM4ETSHRTDP1
SCHEMBL675408 0.78 PTPN1 (0.35) ALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL673686 0.77 ALDH1A1 (0.36) ALDH1A1CYP3A4CETPLMNATSHR
SCHEMBL3671250 0.76 CA2 (0.42) ALDH1A1CA2CYP3A4CTSKCTSL
SCHEMBL672705 0.76 PTPN1 (0.35) ALDH1A1MAPK1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020054484-A1 MODIFIED MULTI-COMPONENT COPOLYMER, RUBBER COMPOSITION, RESIN COMPOSITION, TIRE AND RESIN PRODUCT 株式会社ブリヂストン 2020-03-19 WO disclosed
US-10131722-B2 Method for preparing terminal-modified conjugated diene polymer, terminal-modified conjugated diene polymer, rubber composition and tire BRIDGESTONE CORPORATION (JP) 2018-11-20 US disclosed
US-20170275400-A1 METHOD FOR PREPARING TERMINAL-MODIFIED CONJUGATED DIENE POLYMER, TERMINAL-MODIFIED CONJUGATED DIENE POLYMER, RUBBER COMPOSITION AND TIRE BRIDGESTONE CORPORATION (JP) 2017-09-28 US disclosed
EP-3184554-A1 METHOD FOR MANUFACTURING CONJUGATED DIENE POLYMER WITH MODIFIED END, CONJUGATED DIENE POLYMER WITH MODIFIED END, RUBBER COMPOSITION, AND TIRE Bridgestone Corporation (JP) 2017-06-28 EP disclosed
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-7968652-B2 Modified conjugated diene copolymer, rubber compositions and tires BRIDGESTONE CORPORATION (JP) 2011-06-28 US disclosed
US-20100160530-A1 RUBBER COMPOSITION CONTAINING MODIFIED POLYBUTADIENE RUBBER AND TIRE BRIDGESTRONE CORPORATION (JP) 2010-06-24 US disclosed
US-20090292043-A1 MODIFIED CONJUGATED DIENE COPOLYMER, RUBBER COMPOSITIONS AND TIRES BRIDGESTONE CORPORATION (JP) 2009-11-26 US 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-1975200-A1 RUBBER COMPOSITION CONTAINING MODIFIED POLYBUTADIENE RUBBER AND TIRE Bridgestone Corporation (JP) 2008-10-01 EP 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
EP-1873168-A1 MODIFIED CONJUGATED DIENE COPOLYMER, RUBBER COMPOSITIONS AND TIRES Bridgestone Corporation (JP) 2008-01-02 EP disclosed