SCHEMBL20187658

SCHEMBL20187658

COc1ccc2c(c1OC)C(=O)c1cc(C(C)=O)oc1C2=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 5/20 0.58
ALDH1A1 P00352 4/20 0.55
NPC1 O15118 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
RAB9A P51151 2/20 0.55
EPHX2 P34913 1/20 0.43
LMNA P02545 3/20 0.42
RECQL P46063 1/20 0.42
KDM4E B2RXH2 5/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 2/20 0.40
USP8 P40818 1/20 0.40
USP7 Q93009 1/20 0.40
POLB P06746 1/20 0.37
USP2 O75604 1/20 0.37
DUSP3 P51452 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL20187669 0.96 STAT3 (0.57) STAT3ALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL20187648 0.80 STAT3 (0.65) STAT3ALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL20187646 0.80 STAT3 (0.64) STAT3ALDH1A1LMNARECQLMAPT
SCHEMBL20187597 0.77 STAT3 (0.56) STAT3ALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL20188782 0.77 STAT3 (0.50) STAT3ALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL20191214 0.75 STAT3 (0.54) STAT3ALDH1A1NPC1RAB9AEPHX2
SCHEMBL20189157 0.75 STAT3 (0.66) STAT3ALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL20187637 0.75 STAT3 (0.66) STAT3ALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL20187585 0.74 STAT3 (0.63) STAT3ALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL20196459 0.74 STAT3 (0.67) STAT3ALDH1A1NPC1SMN1; SMN2RAB9A

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 claimed