SCHEMBL4668561

SCHEMBL4668561

N#Cc1ccc(/C=C/C(=O)O)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
NFKB1 P19838 2/20 0.51
CA4 P22748 2/20 0.51
MIF P14174 1/20 0.46
TYR P14679 2/20 0.43
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
CXCR1 P25024 1/20 0.42
CXCR2 P25025 1/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 1/20 0.42
HDAC3 O15379 1/20 0.42
CA12 O43570 1/20 0.42
AKR1B10 O60218 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TTR P02766 1/20 0.42
MMP1 P03956 1/20 0.42

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
SCHEMBL4668564 1.00 CA1 (0.51) CA1CA2NFKB1CA4MIF
SCHEMBL6708257 0.82 MIF (0.61) CA1CA2NFKB1CA4MIF
SCHEMBL2470556 0.82 ESR1 (0.47) CA1CA2NFKB1CA4MIF
SCHEMBL15547203 0.82 BACE1 (0.44) MIFKDM4EALDH1A1GAAMAPT
SCHEMBL6072850 0.82 MIF (0.41) CA1CA2NFKB1CA4MIF
SCHEMBL2470558 0.82 ESR1 (0.47) CA1CA2NFKB1CA4MIF
SCHEMBL6708260 0.82 MIF (0.61) CA1CA2NFKB1CA4MIF
SCHEMBL6072860 0.82 MIF (0.41) CA1CA2NFKB1CA4MIF
SCHEMBL11306935 0.80 EGFR (0.41) MIFAKR1C3KDM4EMEN1ALDH1A1
SCHEMBL5386165 0.79 FFAR1 (0.39) CA1CA2NFKB1CA4MIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7422855-B2 Multiplexing assays for analyte detection PERKINELMER LAS, INC. (US) 2008-09-09 US disclosed
EP-1774033-A4 MULTIPLEXING ASSAYS FOR ANALYTE DETECTION PERKINELMER LAS INC (US) 2008-04-23 EP disclosed
EP-1774033-A2 MULTIPLEXING ASSAYS FOR ANALYTE DETECTION PerkinElmer LAS, Inc. (US) 2007-04-18 EP disclosed
US-20060003366-A1 Multiplexing assays for analyte detection PERKINELMER LAS, INC. 2006-01-05 US disclosed
WO-2005123959-A2 MULTIPLEXING ASSAYS FOR ANALYTE DETECTION PERKINELMER LAS, INC. (US) 2005-12-29 WO disclosed