SCHEMBL20187597

SCHEMBL20187597

COc1ccc(-c2ccc3c(c2O)C(=O)c2cc(C(C)=O)oc2C3=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 4/20 0.56
ALDH1A1 P00352 2/20 0.50
HDAC4 P56524 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
GRK6 P43250 1/20 0.42
BLM P54132 1/20 0.42
GFER P55789 1/20 0.42
ACLY P53396 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
BACE1 P56817 1/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 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
SCHEMBL20191214 0.83 STAT3 (0.54) STAT3ALDH1A1MEN1KMT2AMAPT
SCHEMBL11122148 0.81 HDAC4 (0.62) ALDH1A1HDAC4HDAC2HDAC8POLB
SCHEMBL20189157 0.79 STAT3 (0.66) STAT3ALDH1A1POLBGAASMN1; SMN2
SCHEMBL20187637 0.79 STAT3 (0.66) STAT3ALDH1A1POLBGAASMN1; SMN2
SCHEMBL20187544 0.78 STAT3 (0.63) STAT3ALDH1A1POLBGAABLM
SCHEMBL20187585 0.78 STAT3 (0.63) STAT3ALDH1A1POLBGAASMN1; SMN2
SCHEMBL20187658 0.77 STAT3 (0.58) STAT3ALDH1A1POLBGAASMN1; SMN2
SCHEMBL20189094 0.74 STAT3 (0.58) STAT3ALDH1A1POLBGAASMN1; SMN2
SCHEMBL20187614 0.74 STAT3 (0.58) STAT3ALDH1A1POLBGAASMN1; SMN2
SCHEMBL20187669 0.73 STAT3 (0.57) STAT3ALDH1A1HDAC4HDAC2HDAC8

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
WO-2018096401-A1 NEW NAPHTHO[2,3-B]FURAN DERIVATIVES BAN HITOSHI (JP) 2018-05-31 WO disclosed