SCHEMBL6251817

SCHEMBL6251817

COc1cc(/C=C/C(=O)O)c(O)c(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.61
PKM P14618 2/20 0.61
PTGS1 P23219 1/20 0.61
KDM4E B2RXH2 4/20 0.54
GAA P10253 2/20 0.54
ALDH1A1 P00352 5/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
JUN P05412 1/20 0.50
NFKB1 P19838 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA3 P07451 1/20 0.49
CSNK2A2 P19784 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA5A P35218 1/20 0.49
SNCA P37840 1/20 0.49

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
SCHEMBL28630448 0.81 PKM (0.61) PTGS2PKMPTGS1KDM4EGAA
SCHEMBL290189 0.80 ALDH1A1 (0.74) PTGS2PKMPTGS1KDM4EALDH1A1
SCHEMBL715946 0.80 ALDH1A1 (0.74) PTGS2PKMPTGS1KDM4EALDH1A1
SCHEMBL14965780 0.79 PTGS2 (0.52) PTGS2PKMPTGS1KDM4EGAA
SCHEMBL14965779 0.79 PTGS2 (0.52) PTGS2PKMPTGS1KDM4EGAA
SCHEMBL79457 0.79 MAPT (0.79) KDM4EGAAALDH1A1MAPTMEN1
SCHEMBL529638 0.79 JUN (0.79) PTGS2KDM4EGAAALDH1A1MAPT
SCHEMBL529637 0.79 JUN (0.79) PTGS2KDM4EGAAALDH1A1MAPT
SCHEMBL29449851 0.79 MAPT (0.79) KDM4EGAAALDH1A1MAPTMEN1
SCHEMBL29814346 0.79 JUN (0.79) PTGS2KDM4EGAAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050072918-A1 Apparatus and method for ion production enhancement TRUCHE JEAN-LUC (US) 2005-04-07 US disclosed