SCHEMBL673686

SCHEMBL673686

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2C9 P11712 1/20 0.35
PTPN1 P18031 1/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
MMP8 P22894 1/20 0.33
NPY5R Q15761 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
HIF1A Q16665 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CES1 P23141 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 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
SCHEMBL675638 0.86 ATM (0.36) ALDH1A1CYP3A4CYP2C19CYP2C9PTPN1
SCHEMBL675408 0.86 PTPN1 (0.35) ALDH1A1PTPN1PPARGPPARAHIF1A
SCHEMBL672705 0.86 PTPN1 (0.35) ALDH1A1PTPN1RXRARXRBRXRG
SCHEMBL673482 0.84 ATM (0.34) ALDH1A1PTPN1TSHR
SCHEMBL674472 0.83 CETP (0.40) ALDH1A1CYP3A4PTPN1MEN1TSHR
SCHEMBL4446737 0.81 CETP (0.43) ALDH1A1CYP3A4PTPN1CES1MEN1
SCHEMBL673999 0.77 ALDH1A1 (0.37) ALDH1A1CYP3A4LMNATSHRCETP
SCHEMBL673676 0.70 HIF1A (0.44) ALDH1A1CYP2C19PTPN1PPARGPPARA
SCHEMBL674553 0.68 HDAC3 (0.45) ALDH1A1CYP3A4CYP2C19CYP2C9PPARG
SCHEMBL11169158 0.68 TDP1 (0.41) ALDH1A1CYP2C19PTPN1HIF1ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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