SCHEMBL9325792

SCHEMBL9325792

O=C(O)c1ccc(Oc2ccc(OS(=O)(=O)c3ccc(Oc4ccc(C(=O)O)c(C(=O)O)c4)cc3)cc2)cc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
APEX1 P27695 1/20 0.58
CTDSP1 Q9GZU7 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
EGFR P00533 4/20 0.47
ABL1 P00519 3/20 0.47
ABL2 P42684 2/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP2C9 P11712 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
MCL1 Q07820 1/20 0.45
HPSE Q9Y251 1/20 0.45
TDP1 Q9NUW8 3/20 0.44
LMNA P02545 1/20 0.44
SRC P12931 1/20 0.44
PTPN1 P18031 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
SCHEMBL7046848 1.00 POLB (0.58) POLBAPEX1CTDSP1L3MBTL1MEN1
SCHEMBL11703812 0.88 POLB (0.59) POLBAPEX1CTDSP1L3MBTL1MEN1
SCHEMBL1636289 0.85 POLB (0.55) POLBAPEX1CTDSP1L3MBTL1MEN1
SCHEMBL30901879 0.85 POLB (0.77) POLBAPEX1CTDSP1L3MBTL1ALDH1A1
SCHEMBL262215 0.85 POLB (0.77) POLBAPEX1CTDSP1L3MBTL1ALDH1A1
SCHEMBL11777951 0.84 TDP1 (0.53) POLBAPEX1CTDSP1L3MBTL1MEN1
Water SCHEMBL6408071 0.84 POLB (0.75) POLBAPEX1CTDSP1L3MBTL1ALDH1A1
SCHEMBL32680447 0.84 POLB (0.61) POLBAPEX1CTDSP1L3MBTL1MEN1
Water SCHEMBL7466907 0.84 POLB (0.54) POLBAPEX1CTDSP1L3MBTL1MEN1
SCHEMBL11775484 0.83 SMN1; SMN2 (0.57) POLBAPEX1CTDSP1L3MBTL1MEN1

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-0580797-A1 BLENDS OF POLYPHENYLENE ETHER RESIN, A POLYETHERIMIDE SILOXANE COPOLYMER AND PENTAERYTHRITOL TETRABENZOATE GENERAL ELECTRIC COMPANY (US) 1994-02-02 EP disclosed
WO-1993016136-A1 BLENDS OF POLYPHENYLENE ETHER RESIN, A POLYETHERIMIDE SILOXANE COPOLYMER AND PENTAERYTHRITOL TETRABENZOATE GENERAL ELECTRIC COMPANY (US) 1993-08-19 WO disclosed