SCHEMBL12866248

SCHEMBL12866248

O=COc1cc(/C=C/C=C/C=C2\C=CC(=O)C(C(=O)O)=C2)ccc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.38
TXNRD1 Q16881 2/20 0.37
C9 P02748 2/20 0.37
DNMT1 P26358 1/20 0.36
KDM4E B2RXH2 3/20 0.35
PKM P14618 3/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA3 P07451 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CA5A P35218 2/20 0.35
SNCA P37840 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA5B Q9Y2D0 2/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 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
SCHEMBL12866296 0.85 XDH (0.43) XDHC9KDM4EPKMCA12
SCHEMBL12880701 0.83 PTPN1 (0.50) C9KDM4EPKMMAOBCYP2D6
SCHEMBL12866263 0.69 XDH (0.47) XDHTXNRD1DNMT1KDM4EPKM
SCHEMBL12634308 0.67 C9 (0.76) C9KDM4EPKMCA12CA1
SCHEMBL1012820 0.64 ALDH1A1 (0.67) XDHKDM4EPKMCA12CA1
SCHEMBL16704450 0.62 TRPA1 (0.62) XDHTXNRD1KDM4EPKMCA12
SCHEMBL12866099 0.61 XDH (0.43) XDHKDM4EMAOAMAOBMEN1
SCHEMBL3437056 0.60 XDH (0.88) XDHTXNRD1DNMT1KDM4EPKM
SCHEMBL21798699 0.60 XDH (0.77) XDHTXNRD1DNMT1KDM4EPKM
SCHEMBL4653690 0.60 KDM4E (0.78) XDHTXNRD1KDM4EPKMCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338701-B2 Dye-sensitized photoelectric conversion device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-12-25 US disclosed
US-8338700-B2 Dye-sensitized photoelectric conversion device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-12-25 US disclosed
US-20110030801-A1 Dye-Sensitized Photoelectric Conversion Device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-02-10 US disclosed
US-20110031446-A1 Dye-Sensitized Photoelectric Conversion Device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-02-10 US disclosed