SCHEMBL4675282

SCHEMBL4675282

O=C(O)c1ccc(OC2(Oc3cccc(C(=O)O)c3C(=O)O)C=CC(c3ccccc3)=CC2)cc1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GALK1 P51570 1/20 0.36
CASP6 P55212 1/20 0.36
MCL1 Q07820 1/20 0.36
PLEC Q15149 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PYGL P06737 7/20 0.34
POLB P06746 1/20 0.33
PYGM P11217 8/20 0.32
HPSE Q9Y251 1/20 0.32
CDC25A P30304 1/20 0.32
CDC25B P30305 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL27951967 0.92 GALK1 (0.32) GALK1CASP6MCL1PLECTDP1
SCHEMBL9716877 0.89 POLB (0.40) GALK1CASP6MCL1PLECTDP1
SCHEMBL27906479 0.86 HPSE (0.35) GALK1CASP6MCL1PLECTDP1
SCHEMBL4649901 0.84 POLB (0.41) GALK1CASP6MCL1PLECTDP1
SCHEMBL6537070 0.73 AKR1C3 (0.40) TDP1POLBCDC25ACDC25BHSD17B10
SCHEMBL5267433 0.72 POLB (0.50) GALK1CASP6MCL1PLECTDP1
SCHEMBL31018766 0.72 CA12 (0.34) TDP1CDC25BHSD17B10ALDH1A1
SCHEMBL10382629 0.71
SCHEMBL29720375 0.70 MAOB (0.41) POLBALDH1A1
SCHEMBL713923 0.69 ALOX15 (0.33) POLBHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937477-A2 PLASTIC FILMS AND LABELS MADE THEREFROM General Electric Company (US) 2008-07-02 EP disclosed
WO-2007040881-A2 PLASTIC FILMS AND LABELS MADE THEREFROM GENERAL ELECTRIC COMPANY (US) 2007-04-12 WO disclosed