SCHEMBL4270184

SCHEMBL4270184

CCCCC(CC)O[Sn].CCCOC(=O)OCCC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.41
CA1 P00915 4/20 0.41
PRKCA P17252 1/20 0.37
PRKCD Q05655 1/20 0.37
TSHR P16473 2/20 0.37
CYP3A4 P08684 2/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CTSK P43235 1/20 0.36
PLA2G2C Q5R387 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 2/20 0.34
HCAR2 Q8TDS4 2/20 0.34

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
SCHEMBL4272119 0.93 ZDHHC7 (0.40) CA2CA1PLA2G2CHCAR2
SCHEMBL4267372 0.84 NAAA (0.44) CA2CA1TSHRCYP3A4PLA2G2C
SCHEMBL4266390 0.83 ALDH1A1 (0.42) CA2CA1TSHRCYP3A4ATM
SCHEMBL4272114 0.81 NAAA (0.46) CA2TSHRPLA2G2CALDH1A1HCAR2
SCHEMBL4267332 0.81 NAAA (0.46) CA2TSHRPLA2G2CALDH1A1HCAR2
SCHEMBL4267978 0.81 NAAA (0.46) CA2TSHRPLA2G2CALDH1A1HCAR2
SCHEMBL4277386 0.79 NAAA (0.47) TSHRPLA2G2CALDH1A1HCAR2
SCHEMBL4278007 0.79 NAAA (0.47) TSHRPLA2G2CALDH1A1HCAR2
SCHEMBL4273780 0.77 NAAA (0.41) TSHRATMPLA2G2CALDH1A1HCAR2
SCHEMBL28353982 0.77 ALDH1A1 (0.42) CA2CA1PRKCAPRKCDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362289-B2 Mixture for recovery utilization or transfer of carbon dioxide ASAHI KASEI CHEMICALS CORPORATION (JP) 2013-01-29 US disclosed
EP-2006013-B1 MIXTURE FOR CARBON DIOXIDE RECOVERY/UTILIZATION AND TRANSPORTATION ASAHI KASEI CHEMICALS CORP (JP) 2013-01-02 EP disclosed
EP-2006013-A9 MIXTURE FOR CARBON DIOXIDE RECOVERY/UTILIZATION AND TRANSPORTATION Asahi Kasei Chemicals Corporation (JP) 2009-07-22 EP disclosed
US-20090169461-A1 Mixture For Recovery Utilization Or Transfer Of Carbon Dioxide ASAHI KASEI KABUSHIKI KAISHA (JP) 2009-07-02 US disclosed
EP-2006013-A2 MIXTURE FOR CARBON DIOXIDE RECOVERY/UTILIZATION AND TRANSPORTATION Asahi Kasei Chemicals Corporation (JP) 2008-12-24 EP disclosed