SCHEMBL5580100

SCHEMBL5580100

CCOc1cc2c(c(Cl)c1O)Oc1c(ccc(O)c1Cl)C21OC(=O)c2ccc(C(=O)O)c(OCC)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMAD3 P84022 1/20 0.39
GNG2 P59768 1/20 0.35
GNB1 P62873 1/20 0.35
STK17B O94768 3/20 0.33
CYP3A4 P08684 2/20 0.32
THRB P10828 2/20 0.32
TSHR P16473 2/20 0.32
MAPK1 P28482 2/20 0.32
RECQL P46063 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TP53 P04637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
BRCA1 P38398 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GLB1 P16278 1/20 0.32

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
SCHEMBL1682554 0.87 SMAD3 (0.40) SMAD3GNG2GNB1CYP3A4THRB
SCHEMBL29131280 0.78 SMAD3 (0.43) SMAD3GNG2GNB1CYP3A4THRB
SCHEMBL17713858 0.76 SMAD3 (0.46) SMAD3GNG2GNB1CYP3A4THRB
SCHEMBL6026564 0.75 SMAD3 (0.41) SMAD3GNG2GNB1CYP3A4THRB
SCHEMBL4478640 0.74 SMAD3 (0.42) SMAD3GNG2GNB1STK17BCYP3A4
SCHEMBL20526344 0.72 SMAD3 (0.41) SMAD3GNG2GNB1CYP3A4THRB
SCHEMBL2167804 0.70 SMAD3 (0.43) SMAD3GNG2GNB1CYP3A4THRB
SCHEMBL15019692 0.70 GNG2 (0.50) SMAD3GNG2GNB1THRBRECQL
SCHEMBL29401708 0.70 GNG2 (0.50) SMAD3GNG2GNB1THRBRECQL
SCHEMBL3717351 0.69 SMAD3 (0.45) SMAD3GNG2GNB1CYP3A4THRB

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-20070243176-A1 Human genes and gene expression products NUVELO, INC. 2007-10-18 US disclosed