SCHEMBL20187622

SCHEMBL20187622

CC(=O)c1cc2c(o1)C(=O)c1cc(O)cc(Cl)c1C2=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 6/20 0.57
ALDH1A1 P00352 5/20 0.54
TTR P02766 1/20 0.35
LMNA P02545 3/20 0.35
HSD17B10 Q99714 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 2/20 0.35
GLA P06280 1/20 0.35
CASP1 P29466 1/20 0.35
BRCA1 P38398 1/20 0.35
CASP7 P55210 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 4/20 0.35
MITF O75030 1/20 0.35
HTT P42858 1/20 0.35
BCL2 P10415 1/20 0.33
MCL1 Q07820 1/20 0.33
LCK P06239 1/20 0.33
MEN1 O00255 3/20 0.33

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
SCHEMBL20187668 0.96 STAT3 (0.56) STAT3ALDH1A1TTRLMNAHSD17B10
SCHEMBL20191163 0.81 STAT3 (0.66) STAT3ALDH1A1LMNAHSD17B10KDM4E
SCHEMBL20187544 0.79 STAT3 (0.63) STAT3ALDH1A1TTRLMNAHSD17B10
SCHEMBL20188858 0.78 STAT3 (0.65) STAT3ALDH1A1LMNAHSD17B10KDM4E
SCHEMBL20187596 0.77 STAT3 (0.60) STAT3ALDH1A1LMNAHSD17B10KDM4E
SCHEMBL20191216 0.77 STAT3 (0.60) STAT3ALDH1A1LMNAHSD17B10KDM4E
SCHEMBL20196459 0.76 STAT3 (0.67) STAT3ALDH1A1TTRLMNAHSD17B10
SCHEMBL20187614 0.75 STAT3 (0.58) STAT3ALDH1A1TTRLMNAHSD17B10
SCHEMBL1450113 0.72 STAT3 (1.00) STAT3ALDH1A1TTRLMNAHSD17B10
SCHEMBL20190492 0.72 STAT3 (0.61) STAT3ALDH1A1TTRLMNAHSD17B10

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