SCHEMBL3676857

SCHEMBL3676857

CCCCC(CC)C/C(=C/C(=O)[O-])C(=O)[O-].CCCCC(CC)C/C(=C/C(=O)[O-])C(=O)[O-].c1ccc(C[Sn+4]Cc2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
CA2 P00918 3/20 0.39
CYP3A4 P08684 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CNR2 P34972 2/20 0.37
LMNA P02545 2/20 0.36
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35

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
SCHEMBL3676854 0.87 CA2 (0.38) ALDH1A1CA2CYP3A4KDM4ECNR2
SCHEMBL149526 0.87 ALDH1A1 (0.40) ALDH1A1CA2CYP3A4KDM4ECNR2
SCHEMBL8923219 0.86 ALDH1A1 (0.40) ALDH1A1CA2CYP3A4KDM4ECNR2
SCHEMBL149525 0.85 ALDH1A1 (0.40) ALDH1A1CA2CYP3A4KDM4ECNR2
SCHEMBL3681034 0.83 CNR2 (0.41) ALDH1A1CA2CYP3A4KDM4ECNR2
SCHEMBL16566516 0.82 CA2 (0.49) ALDH1A1CA2CYP3A4MAPK1TSHR
SCHEMBL11811901 0.82 CA2 (0.49) ALDH1A1CA2CYP3A4LMNAMAPK1
Zinc Ion SCHEMBL7638099 0.82 CA2 (0.49) ALDH1A1CA2CYP3A4MAPK1TSHR
Zinc Ion SCHEMBL9481488 0.82 CA2 (0.49) ALDH1A1CA2CYP3A4MAPK1TSHR
Zinc Ion SCHEMBL9480714 0.82 CA2 (0.49) ALDH1A1CA2CYP3A4MAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10550203-B2 Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORPORATION (JP) 2020-02-04 US disclosed
US-20180319905-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2018-11-08 US disclosed
EP-3029074-B1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORP (JP) 2017-08-02 EP disclosed
US-20170015760-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2017-01-19 US disclosed
US-9469741-B2 Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORPORATION (JP) 2016-10-18 US disclosed
EP-3029074-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS Bridgestone Corporation (JP) 2016-06-08 EP disclosed
EP-2203482-B1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORP (JP) 2015-11-25 EP disclosed
US-20150267031-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2015-09-24 US disclosed
US-9085646-B2 Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORPORATION (JP) 2015-07-21 US disclosed
US-20130066016-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2013-03-14 US disclosed
US-8362156-B2 Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORPORATION (JP) 2013-01-29 US disclosed
US-8314189-B2 Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORPORATION (JP) 2012-11-20 US disclosed
US-20100280217-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2010-11-04 US disclosed
EP-2203482-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS Bridgestone Corporation (JP) 2010-07-07 EP disclosed
WO-2009051702-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2009-04-23 WO disclosed
WO-2009051700-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (US) 2009-04-23 WO disclosed
US-20090099325-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION 2009-04-16 US disclosed