SCHEMBL27554103

SCHEMBL27554103

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
CYP3A4 P08684 2/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
ATM Q13315 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 4/20 0.45
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
PTPN1 P18031 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TACR1 P25103 1/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7183694 0.96 KMT2A (0.45) KMT2ACYP3A4TP53MAPTATM
SCHEMBL27554209 0.91 MMP8 (0.50) KMT2ACYP3A4TP53MAPTATM
SCHEMBL27486290 0.89 CA12 (0.49) KMT2AMEN1ALDH1A1HPGD
SCHEMBL27554201 0.88 TDP1 (0.42) KMT2ACYP3A4TP53MAPTATM
SCHEMBL7189265 0.87 MMP8 (0.49) KMT2ACYP3A4TP53MAPTATM
SCHEMBL27519981 0.87 KMT2A (0.40) KMT2ACYP3A4TP53MAPTATM
SCHEMBL27499976 0.86 CA1 (0.45) KMT2ACYP3A4TP53MAPTATM
SCHEMBL27500594 0.86 ALDH1A1 (0.41) KMT2ACYP3A4TP53MAPTATM
SCHEMBL27500957 0.86 TDP1 (0.43) KMT2ACYP3A4TP53MAPTATM
SCHEMBL7180203 0.84 TDP1 (0.41) KMT2ACYP3A4TP53MAPTATM

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