SCHEMBL673907

SCHEMBL673907

CC(C(=O)[O-])C(C)(O)C(=O)[O-].c1ccc(C[Sn+2]Cc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
ALPL P05186 1/20 0.40
ALPG P10696 1/20 0.40
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
RAB9A P51151 2/20 0.34
TSHR P16473 2/20 0.34
TRPA1 O75762 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 4/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PTPN7 P35236 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
SCHEMBL675400 0.80 KMT2A (0.33) POLBALPLALPGMAPTMEN1
Acetic Acid SCHEMBL4454694 0.75 CES2 (0.48) POLBALPLALPGCES2CES1
SCHEMBL672837 0.73 CA2 (0.30)
SCHEMBL384289 0.71 CES2 (0.43) POLBALPLALPGCES2CES1
SCHEMBL384291 0.71 CES2 (0.43) POLBALPLALPGCES2CES1
SCHEMBL675407 0.70 POLB (0.40) POLBALPLALPGTRPA1MAPT
SCHEMBL674619 0.70
SCHEMBL672940 0.70
2-Ethylhexanoic Acid SCHEMBL673589 0.70 CA2 (0.58) POLBALPLALPGTSHRMAPT
SCHEMBL673614 0.70 HDAC3 (0.47) POLBALPLALPGCES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2098541-B1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE POLYMER, MODIFIED CONJUGATED DIENE POLYMER, AND RUBBER COMPOSITION JSR CORP (JP) 2013-06-05 EP disclosed
EP-1873168-B1 MODIFIED CONJUGATED DIENE COPOLYMER, RUBBER COMPOSITIONS AND TIRES BRIDGESTONE CORP (JP) 2012-12-12 EP disclosed
US-7968652-B2 Modified conjugated diene copolymer, rubber compositions and tires BRIDGESTONE CORPORATION (JP) 2011-06-28 US disclosed
US-20100317794-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE POLYMER, MODIFIED CONJUGATED DIENE POLYMER, AND RUBBER COMPOSITION JSR CORPORATION (JP) 2010-12-16 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
EP-2098541-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE POLYMER, MODIFIED CONJUGATED DIENE POLYMER, AND RUBBER COMPOSITION JSR Corporation (JP) 2009-09-09 EP disclosed
EP-1975200-A1 RUBBER COMPOSITION CONTAINING MODIFIED POLYBUTADIENE RUBBER AND TIRE Bridgestone Corporation (JP) 2008-10-01 EP disclosed
EP-1873168-A1 MODIFIED CONJUGATED DIENE COPOLYMER, RUBBER COMPOSITIONS AND TIRES Bridgestone Corporation (JP) 2008-01-02 EP disclosed