SCHEMBL6938784

SCHEMBL6938784

O=C(OC(=O)c1cccc(Oc2ccccc2)c1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.70
HDAC8 Q9BY41 1/20 0.62
ERCC5 P28715 1/20 0.57
FEN1 P39748 1/20 0.57
TNKS O95271 1/20 0.54
PARP15 Q460N3 1/20 0.54
PARP14 Q460N5 1/20 0.54
PARP10 Q53GL7 1/20 0.54
TNKS2 Q9H2K2 1/20 0.54
PARP2 Q9UGN5 1/20 0.54
NPC1 O15118 1/20 0.54
PKM P14618 1/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 2/20 0.51
KMT2A Q03164 2/20 0.51
KMO O15229 1/20 0.50
KAT6A Q92794 1/20 0.50
KDM4E B2RXH2 1/20 0.50
FAAH O00519 1/20 0.49
TLR4 O00206 1/20 0.49

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 0.98 AKR1C3 (0.72) AKR1C3HDAC8ERCC5FEN1TNKS
SCHEMBL27516805 0.88 AKR1C3 (0.64) AKR1C3HDAC8ERCC5FEN1TNKS
SCHEMBL9304626 0.87 AKR1C3 (0.61) AKR1C3HDAC8ERCC5FEN1TNKS
SCHEMBL28620841 0.86 PARP10 (0.62) AKR1C3ERCC5FEN1TNKSPARP15
SCHEMBL28557620 0.85 KMT2A (0.61) AKR1C3PARP10MEN1MAPTKMT2A
SCHEMBL11208890 0.84 AKR1C3 (0.64) AKR1C3HDAC8ERCC5FEN1TNKS
SCHEMBL6892695 0.84 PARP10 (0.64) AKR1C3ERCC5FEN1PARP15PARP14
SCHEMBL29484786 0.84 PARP10 (0.59) AKR1C3ERCC5FEN1PARP15PARP14
SCHEMBL545343 0.84 LMNA (0.58) AKR1C3MEN1MAPTKMT2AALDH1A1
SCHEMBL9187797 0.84 AKR1C3 (0.58) AKR1C3HDAC8ERCC5FEN1TNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0972776-B1 A phosphine sulfide, a manufacturing process therefor and a use thereof MITSUI CHEMICALS INC (JP) 2003-04-23 EP disclosed
US-6153794-A Phosphine sulfide, a manufacturing process therefor and use thereof MITSUI CHEMICALS, INC. (JP) 2000-11-28 US disclosed
CN-1262276-A Phosphine sulfide preparing process and use thereof MITSUI CHEMICALS INC (JP) 2000-08-09 CN disclosed
EP-0972776-A1 A phosphine sulfide, a manufacturing process therefor and a use thereof Mitsui Chemicals, Inc. (JP) 2000-01-19 EP disclosed