SCHEMBL27554201

SCHEMBL27554201

COc1cc(OC)c(C(=O)C(C(=O)OC(C)C)c2ccccc2)c(OC)c1.O=P

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KMT2A Q03164 5/20 0.41
CYP3A4 P08684 2/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
ATM Q13315 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 4/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KLK7 P49862 1/20 0.38

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
SCHEMBL7180203 0.96 TDP1 (0.41) TDP1L3MBTL1KMT2ACYP3A4MAPT
SCHEMBL27486327 0.90 CA12 (0.45) TDP1L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL27554103 0.88 KMT2A (0.46) TDP1L3MBTL1KMT2ACYP3A4MAPT
SCHEMBL27500594 0.85 ALDH1A1 (0.41) TDP1L3MBTL1KMT2ACYP3A4MAPT
SCHEMBL27554209 0.85 MMP8 (0.50) TDP1L3MBTL1KMT2ACYP3A4MAPT
SCHEMBL7177767 0.84 TDP1 (0.46) TDP1L3MBTL1KMT2ACYP3A4MAPT
SCHEMBL7183694 0.84 KMT2A (0.45) TDP1L3MBTL1KMT2ACYP3A4MAPT
SCHEMBL7187851 0.84 CA12 (0.45) L3MBTL1KMT2AMEN1ALDH1A1HPGD
SCHEMBL27519981 0.84 KMT2A (0.40) TDP1L3MBTL1KMT2ACYP3A4MAPT
SCHEMBL27561211 0.83 KMT2A (0.41) TDP1L3MBTL1KMT2ACYP3A4MAPT

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