SCHEMBL9304626

SCHEMBL9304626

O=C(O)OC(=O)c1cccc(Oc2cccc(C(=O)OC(=O)O)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.61
HDAC8 Q9BY41 1/20 0.54
TNKS O95271 1/20 0.51
PARP15 Q460N3 1/20 0.51
PARP14 Q460N5 1/20 0.51
PARP10 Q53GL7 1/20 0.51
TNKS2 Q9H2K2 1/20 0.51
PARP2 Q9UGN5 1/20 0.51
KMO O15229 1/20 0.51
ERCC5 P28715 1/20 0.50
FEN1 P39748 1/20 0.50
NPC1 O15118 2/20 0.47
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.45
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KAT6A Q92794 1/20 0.44
CES2 O00748 1/20 0.44

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
SCHEMBL6938778 0.89 AKR1C3 (0.72) AKR1C3HDAC8TNKSPARP15PARP14
SCHEMBL6938784 0.87 AKR1C3 (0.70) AKR1C3HDAC8TNKSPARP15PARP14
SCHEMBL28299518 0.86 L3MBTL1 (0.50) AKR1C3PKMRAB9AL3MBTL1CES2
SCHEMBL8974791 0.84 AKR1C3 (0.49) AKR1C3HDAC8ERCC5FEN1KDM4E
SCHEMBL27516805 0.82 AKR1C3 (0.64) AKR1C3HDAC8TNKSPARP15PARP14
SCHEMBL68858 0.79 AKR1C3 (0.92) AKR1C3HDAC8TNKSPARP15PARP14
SCHEMBL30307454 0.79 AKR1C3 (0.92) AKR1C3HDAC8TNKSPARP15PARP14
SCHEMBL30449599 0.79 AKR1C3 (0.92) AKR1C3HDAC8TNKSPARP15PARP14
SCHEMBL9187797 0.79 AKR1C3 (0.58) AKR1C3HDAC8TNKSPARP15PARP14
SCHEMBL5323530 0.78 PARP10 (0.60) AKR1C3PARP10ERCC5FEN1NPC1

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-5300543-A Recyclable thermoplastics foam of high glass temperature BAYER AKTIENGESELLSCHAFT (DE) 1994-04-05 US disclosed