SCHEMBL27554209

SCHEMBL27554209

CCOC(=O)C(C(=O)c1c(OC)cc(OC)cc1OC)c1ccccc1.O=P

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.50
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TACR1 P25103 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
PTPN1 P18031 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL7189265 0.96 MMP8 (0.49) MMP8TDP1L3MBTL1KMT2AMEN1
SCHEMBL27554103 0.91 KMT2A (0.46) TDP1L3MBTL1KMT2AMEN1TP53
SCHEMBL27500957 0.90 TDP1 (0.43) MMP8TDP1L3MBTL1KMT2AMEN1
SCHEMBL27499979 0.90 MMP8 (0.52) MMP8KMT2AMEN1MAPTCA12
SCHEMBL27499049 0.88 TDP1 (0.44) TDP1L3MBTL1
SCHEMBL27500594 0.88 ALDH1A1 (0.41) TDP1L3MBTL1KMT2AMEN1TP53
SCHEMBL27499976 0.88 CA1 (0.45) TDP1L3MBTL1KMT2ATP53CYP3A4
SCHEMBL27499966 0.87 NPC1 (0.43) TP53CYP3A4NPC1
SCHEMBL7183694 0.87 KMT2A (0.45) TDP1L3MBTL1KMT2AMEN1TP53
SCHEMBL7186621 0.86 TDP1 (0.42) MMP8TDP1L3MBTL1KMT2AMEN1

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
CN-1200943-C Organometallic acyl-aryl phosphine CIBA SC HOLDING AG (CH) 2005-05-11 CN disclosed
CN-1308081-A Organometallic acyl-aryl phosphine CIBA SC HOLDING AG (CH) 2001-08-15 CN disclosed