SCHEMBL20187669

SCHEMBL20187669

COc1ccc2c(c1OC)C(=O)c1oc(C(C)=O)cc1C2=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 5/20 0.57
ALDH1A1 P00352 3/20 0.57
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
EPHX2 P34913 2/20 0.45
LMNA P02545 2/20 0.41
RECQL P46063 1/20 0.41
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP8 P40818 1/20 0.40
USP7 Q93009 1/20 0.40
MAPT P10636 1/20 0.40
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL20187658 0.96 STAT3 (0.58) STAT3ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL20187648 0.84 STAT3 (0.65) STAT3ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL20187646 0.82 STAT3 (0.64) STAT3ALDH1A1LMNARECQLMAPT
SCHEMBL20189157 0.77 STAT3 (0.66) STAT3ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL20187637 0.77 STAT3 (0.66) STAT3ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL20189094 0.75 STAT3 (0.58) STAT3ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL20187614 0.75 STAT3 (0.58) STAT3ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL20190492 0.75 STAT3 (0.61) STAT3ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL12253692 0.74 RAB9A (0.76) ALDH1A1NPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL20187568 0.74 STAT3 (0.92) STAT3ALDH1A1SMN1; SMN2EPHX2LMNA

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