SCHEMBL4649899

SCHEMBL4649899

O=C(O)c1ccc(OC2(Oc3cccc(C(=O)O)c3C(=O)O)C=CC(C(=O)c3ccccc3)C=C2)cc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
PYGM P11217 10/20 0.37
PYGL P06737 10/20 0.37
CDC25A P30304 1/20 0.36
CDC25B P30305 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HPSE Q9Y251 1/20 0.35
GALK1 P51570 1/20 0.35
CASP6 P55212 1/20 0.35
MCL1 Q07820 1/20 0.35
PLEC Q15149 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
AKR1C3 P42330 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL6537068 0.90 AKR1C3 (0.37) POLBHSD17B10TDP1AKR1C3ALDH1A1
SCHEMBL5267430 0.89 POLB (0.48) POLBPYGMPYGLCDC25ACDC25B
SCHEMBL4675279 0.85 PYGL (0.36) POLBPYGMPYGLCDC25ACDC25B
SCHEMBL8911079 0.74 HTT (0.36) POLBHSD17B10MCL1AKR1C3ALDH1A1
SCHEMBL9750703 0.73 PBRM1 (0.42) POLBAKR1C3ALDH1A1
SCHEMBL1627984 0.71 MAOA (0.36)
SCHEMBL4649901 0.70 POLB (0.41) POLBPYGMPYGLCDC25ACDC25B
SCHEMBL29404149 0.70 PYGL (0.53) POLBPYGMPYGLCDC25ACDC25B
SCHEMBL716921 0.70 PYGL (0.53) POLBPYGMPYGLCDC25ACDC25B
Ammonia Solution, Strong SCHEMBL10582921 0.70 MAOA (0.35)

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-1963432-A1 EXPANDED AND EXPANDABLE HIGH GLASS TRANSITION TEMPERATURE POLYMERS General Electric Company (US) 2008-09-03 EP disclosed
WO-2007078737-A1 EXPANDED AND EXPANDABLE HIGH GLASS TRANSITION TEMPERATURE POLYMERS GENERAL ELECTRIC COMPANY (US) 2007-07-12 WO disclosed