SCHEMBL7140948

SCHEMBL7140948

CCCN(C1=C(O)CC(CCc2ccc(O)cc2)(C(C)C)OC1=O)c1cc(C(=O)O)cc(C(=O)OCC)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
GLI1 P08151 1/20 0.32
GLI2 P10070 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ESR1 P03372 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
ESR2 Q92731 1/20 0.31
CA14 Q9ULX7 1/20 0.31
PRKCA P17252 2/20 0.31
PRKCD Q05655 1/20 0.31
USP2 O75604 1/20 0.31
ALOX15 P16050 1/20 0.31
ESRRG P62508 1/20 0.30
PTPN1 P18031 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL7140943 0.90 ESRRG (0.34) LMNAGLI1GLI2CA1CA2
SCHEMBL7077392 0.83 GLI1 (0.35) LMNAGLI1GLI2CA1CA2
SCHEMBL6295877 0.83 GLI1 (0.34) LMNAGLI1GLI2ESR1ESRRG
SCHEMBL6301693 0.82 ESRRG (0.31) GLI1GLI2ESRRG
SCHEMBL6297501 0.82 GLI1 (0.35) GLI1GLI2ESR1ESR2ESRRG
SCHEMBL6295744 0.79 GLI1 (0.32) GLI1GLI2ESRRG
SCHEMBL6297479 0.79 ESRRG (0.32) GLI1GLI2ESRRG
SCHEMBL6295960 0.79 GLI1 (0.32) GLI1GLI2ESRRG
SCHEMBL7141092 0.79 WRN (0.33) DRD2DRD3
SCHEMBL6295927 0.78 ESR1 (0.36) LMNADRD2DRD3GLI1GLI2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6512006-B1 Novel 3-position Nitrogen substituted 6,6- disubstituted-5, 6-dihydropyrones and related compounds possess antiviral properties WARNER-LAMBERT COMPANY 2003-01-28 US claimed