SCHEMBL2240305

SCHEMBL2240305

CCCCOc1c([Sn](CCC)(CCC)CCC)c(=O)c1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.34
THRB P10828 2/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP3A4 P08684 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
TSHR P16473 1/20 0.32
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
LTA4H P09960 1/20 0.31

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
SCHEMBL2240355 0.93 THRA (0.34) THRATHRBALDH1A1MAPTKDM4E
SCHEMBL2210826 0.89
SCHEMBL2242227 0.87 THRA (0.35) THRATHRBALDH1A1MAPTKDM4E
SCHEMBL2209021 0.86
SCHEMBL2210179 0.83 POLB (0.32) GAA
SCHEMBL2238969 0.81 THRA (0.36) THRATHRBALDH1A1MAPTKDM4E
SCHEMBL2213430 0.80 POLB (0.30) GAA
Squaric Acid Dibutyl Ester SCHEMBL56180 0.78 CYP3A4 (0.44) THRATHRBALDH1A1MAPTKDM4E
SCHEMBL2238370 0.77 THRA (0.33) THRATHRBALDH1A1MAPTKDM4E
SCHEMBL2211528 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224398-A1 POLYMER HAVING OXOCARBON GROUP, AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-09-15 US disclosed
US-7981567-B2 Polymer having oxocarbon group, and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-19 US disclosed
US-20090110994-A1 POLYMER HAVING OXOCARBON GROUP, AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-30 US disclosed