SCHEMBL7591687

SCHEMBL7591687

O=C(O)C(=Cc1ccccc1O)C(=O)C=Cc1ccccc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA4 P22748 1/20 0.61
JUN P05412 1/20 0.58
NFE2L2 Q16236 1/20 0.58
MAPT P10636 3/20 0.54
LMNA P02545 1/20 0.54
BCHE P06276 1/20 0.51
GUSB P08236 1/20 0.51
CHRNA7 P36544 3/20 0.47
MAPK1 P28482 2/20 0.46
TRPA1 O75762 1/20 0.46
ALPL P05186 1/20 0.45
ALPI P09923 1/20 0.45
ALPG P10696 1/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL2936063 0.84 NFKB1 (0.71) NFKB1CA1CA2CA4JUN
SCHEMBL2936064 0.84 NFKB1 (0.71) NFKB1CA1CA2CA4JUN
SCHEMBL2936065 0.84 NFKB1 (0.71) NFKB1CA1CA2CA4JUN
SCHEMBL7607193 0.84 NFKB1 (0.53) NFKB1CA1CA2CA4JUN
SCHEMBL7583112 0.79 PTPN1 (0.42) NFKB1CA1CA2CA4JUN
SCHEMBL27781270 0.78 NFKB1 (0.70) NFKB1CA1CA2CA4JUN
O-Coumaric Acid SCHEMBL29353381 0.76 NFKB1 (1.00) NFKB1CA1CA2CA4JUN
O-Coumaric Acid SCHEMBL892006 0.76 NFKB1 (1.00) NFKB1CA1CA2CA4JUN
O-Coumaric Acid SCHEMBL29368085 0.76 NFKB1 (1.00) NFKB1CA1CA2CA4JUN
O-Coumaric Acid SCHEMBL64885 0.76 NFKB1 (1.00) NFKB1CA1CA2CA4JUN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3060574-A1 ALPHA BETA MODULATING PEPTIDES Alzhyme Pty Ltd (AU) 2016-08-31 EP disclosed
WO-2015058258-A1 AΒ MODULATING PEPTIDES ALZHYME PTY LTD (AU) 2015-04-30 WO disclosed
EP-1263454-A2 METHODS FOR ENHANCING THE BIOAVAILABILITY OF A DRUG Praecis Pharmaceuticals Incorporated (US) 2002-12-11 EP disclosed
WO-2000052048-A9 MODULATORS OF BETA-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS PRAECIS PHARM INC (US) 2002-04-11 WO disclosed
EP-1161449-A1 MODULATORS OF BETA-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS Praecis Pharmaceuticals Incorporated (US) 2001-12-12 EP disclosed
WO-2001058470-A2 METHODS FOR ENHANCING THE BIOAVAILABILITY OF A DRUG PRAECIS PHARMACEUTICALS INCORPORATED (US) 2001-08-16 WO disclosed
WO-2000052048-A1 MODULATORS OF BETA-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 2000-09-08 WO disclosed