SCHEMBL6046307

SCHEMBL6046307

O=C(O)C=Cc1c[nH]c2c(O)cccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 3/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA4 P22748 1/20 0.56
PARP1 P09874 1/20 0.51
MEN1 O00255 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
HPGD P15428 3/20 0.48
KMT2A Q03164 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TDO2 P48775 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
KDM4E B2RXH2 3/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL6046306 1.00 NFKB1 (0.56) NFKB1CA1CA2CA4PARP1
SCHEMBL31448042 0.84 PIM1 (0.51) NFKB1CA1CA2CA4PARP1
SCHEMBL1225079 0.84 TRIM24 (0.64) NFKB1PARP1MEN1ALDH1A1MAPT
SCHEMBL1225077 0.84 TRIM24 (0.64) NFKB1PARP1MEN1ALDH1A1MAPT
SCHEMBL19178941 0.81 ALDH1A1 (0.54) NFKB1PARP1MEN1ALDH1A1MAPT
SCHEMBL23498164 0.80 KDM4E (0.57) PARP1MEN1ALDH1A1MAPTHPGD
SCHEMBL4369086 0.80 PARP1 (0.46) NFKB1CA1CA2CA4PARP1
SCHEMBL4369090 0.80 PARP1 (0.46) NFKB1CA1CA2CA4PARP1
SCHEMBL27789971 0.80 TRPA1 (0.55) MEN1ALDH1A1MAPTKMT2ANPC1
SCHEMBL29955386 0.79 TRIM24 (0.66) CA1CA2KMT2ARRM1TRIM24

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-20060261267-A1 Composite MALDI matrix material and methods of using it and kits thereof in MALDI AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH 2006-11-23 US claimed
WO-2006124003-A1 COMPOSITE MALDI MATRIX MATERIAL AND METHODS OF USING IT AND KITS THEREOF IN MALDI AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2006-11-23 WO claimed
WO-2006124003-A1 COMPOSITE MALDI MATRIX MATERIAL AND METHODS OF USING IT AND KITS THEREOF IN MALDI AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2006-11-23 WO disclosed
US-20060261267-A1 Composite MALDI matrix material and methods of using it and kits thereof in MALDI AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH 2006-11-23 US disclosed