SCHEMBL5670212

SCHEMBL5670212

O=C(O)CCc1cc(CCC(=O)O)cc(CCC(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.64
FFAR1 O14842 9/20 0.58
NPSR1 Q6W5P4 1/20 0.52
PTPRB P23467 1/20 0.48
CDC25A P30304 1/20 0.48
CDC25B P30305 1/20 0.48
PTEN P60484 1/20 0.48
PTPMT1 Q8WUK0 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
P4HTM Q9NXG6 1/20 0.47
HDAC3 O15379 1/20 0.46
MAPK1 P28482 1/20 0.46
ADRA1A P35348 1/20 0.46
HDAC4 P56524 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC1 Q13547 1/20 0.46

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
SCHEMBL298669 0.88 KEAP1 (0.52) KEAP1FFAR1NPSR1PTPRBCDC25A
SCHEMBL7076068 0.88 KEAP1 (0.52) KEAP1FFAR1NPSR1PTPRBCDC25A
SCHEMBL70271 0.85 KEAP1 (0.74) KEAP1FFAR1PTPRBCDC25ACDC25B
SCHEMBL490382 0.85 KEAP1 (0.54) KEAP1FFAR1NPSR1PTPRBCDC25A
SCHEMBL5846204 0.83 FFAR1 (0.61) KEAP1FFAR1NPSR1FFAR4THRA
Hydrochloric Acid SCHEMBL10982620 0.83 KEAP1 (0.71) KEAP1FFAR1PTPRBCDC25ACDC25B
SCHEMBL1249170 0.83 KEAP1 (0.52) KEAP1FFAR1NPSR1FFAR4THRA
SCHEMBL1448093 0.83 KEAP1 (0.52) KEAP1FFAR1NPSR1PTPRBCDC25A
SCHEMBL17672986 0.83 KEAP1 (0.52) KEAP1FFAR1NPSR1FFAR4THRA
SCHEMBL31245820 0.83 KEAP1 (0.52) KEAP1FFAR1NPSR1PTPRBCDC25A

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
US-8084419-B2 Pharmaceutical compositions for sustained drug delivery GlaxoSmithKline, LLC (US) 2011-12-27 US disclosed
US-20060094662-A1 Pharmaceutical compositions for sustained drug delivery GLAXOSMITHKLINE LLC 2006-05-04 US disclosed
US-7037889-B2 Pharmaceutical compositions for sustained drug delivery PRAECIS PHARMACEUTICALS INC. (US) 2006-05-02 US disclosed
EP-1320387-A2 PHARMACEUTICAL COMPOSITIONS FOR SUSTAINED DRUG DELIVERY Praecis Pharmaceuticals Inc. (US) 2003-06-25 EP disclosed
US-20020086829-A1 Pharmaceutical compositions for sustained drug delivery PRAECIS PHARMACEUTICALS INC. 2002-07-04 US disclosed
WO-2002022154-A2 PHARMACEUTICAL COMPOSITIONS FOR SUSTAINED DRUG DELIVERY PRAECIS PHARMACEUTICALS INCORPORATED (US) 2002-03-21 WO disclosed