SCHEMBL7598129

SCHEMBL7598129

O=C(O)/C=C(\O)c1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.54
CA1 P00915 4/20 0.54
CA12 O43570 3/20 0.54
CA9 Q16790 3/20 0.54
CA3 P07451 2/20 0.54
TYR P14679 2/20 0.54
CA4 P22748 2/20 0.54
CA6 P23280 2/20 0.54
CA5A P35218 2/20 0.54
CA7 P43166 2/20 0.54
CA14 Q9ULX7 2/20 0.54
CA5B Q9Y2D0 2/20 0.54
DRD1 P21728 1/20 0.54
MAPT P10636 5/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 1/20 0.54
ESR1 P03372 2/20 0.50
ESR2 Q92731 2/20 0.50
PKM P14618 2/20 0.50
LMNA P02545 2/20 0.50

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
SCHEMBL26163201 0.82 CA12 (0.50) CA2CA1CA12CA9CA3
SCHEMBL3829338 0.80 NFE2L2 (0.70) CA2CA1CA12CA9CA3
SCHEMBL243722 0.80 NFE2L2 (0.70) CA2CA1CA12CA9CA3
SCHEMBL2593117 0.80 NFE2L2 (0.70) CA2CA1CA12CA9CA3
SCHEMBL17714704 0.79 ALDH1A1 (0.61) MAPTKMT2AALDH1A1PKMLMNA
SCHEMBL7865886 0.79 NFE2L2 (0.80) CA2CA1CA12CA9CA3
SCHEMBL9335607 0.77 NR4A1 (0.61) CA2CA1CA12CA9CA3
SCHEMBL27701700 0.77 MAPT (0.50) CA2CA1CA12CA9CA3
SCHEMBL20366121 0.77 CPT1B (0.52) CA2CA1CA12CA9CA3
SCHEMBL8387743 0.77 MAPT (0.50) CA2CA1CA12CA9CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0652944-B1 PEROXIDASE VARIANTS WITH IMPROVED HYDROGEN PEROXIDE STABILITY NOVOZYMES AS (DK) 2002-11-20 EP disclosed
US-6258769-B1 IMPROVED HYDROGEN PEROXIDE STABILITY, CHARACTERIZED BY INSERTION, DELETION OR SUBSTITUTION OF ONE OR MORE AMINO ACID RESIDUES IN FORM OF A NON-DUSTING GRANULATE, A LIQUID, IN PARTICULAR A STABILISED LIQUID OR A PROTECTED ENZYME NOVOZYMES A/S PATENTS (DK) 2001-07-10 US disclosed
US-5851811-A Peroxidase variants with improved hydrogen peroxide stability NOVO NORDISK A/S (DK) 1998-12-22 US disclosed
EP-0652944-A1 PEROXIDASE VARIANTS WITH IMPROVED HYDROGEN PEROXIDE STABILITY NOVO NORDISK A/S (DK) 1995-05-17 EP disclosed
WO-1993024618-A9 PEROXIDASE VARIANTS WITH IMPROVED HYDROGEN PEROXIDE STABILITY 1994-10-27 WO disclosed
WO-1993024618-A1 PEROXIDASE VARIANTS WITH IMPROVED HYDROGEN PEROXIDE STABILITY NOVO NORDISK A/S (DK) 1993-12-09 WO disclosed