SCHEMBL20187659

SCHEMBL20187659

CCCCc1ccc2c(c1O)C(=O)c1cc(C(C)=O)oc1C2=O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 6/20 0.56
ELANE P08246 9/20 0.54
CTSG P08311 5/20 0.54
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36
PRKCI P41743 1/20 0.36
CTRC Q99895 1/20 0.36
TYR P14679 1/20 0.35

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
SCHEMBL20187585 0.78 STAT3 (0.63) STAT3ELANEALDH1A1GAA
SCHEMBL20187544 0.78 STAT3 (0.63) STAT3ELANEALDH1A1GAA
SCHEMBL10952444 0.76 ELANE (0.60) ELANECTSGALDH1A1TYR
SCHEMBL20187614 0.74 STAT3 (0.58) STAT3ELANECTSGALDH1A1GAA
SCHEMBL20189094 0.74 STAT3 (0.58) STAT3ELANECTSGALDH1A1GAA
SCHEMBL20187597 0.73 STAT3 (0.56) STAT3ALDH1A1GAAERAP1
SCHEMBL20196459 0.73 STAT3 (0.67) STAT3ALDH1A1GAA
SCHEMBL1450113 0.72 STAT3 (1.00) STAT3ELANECTSGALDH1A1
SCHEMBL20191214 0.71 STAT3 (0.54) STAT3ALDH1A1
SCHEMBL20187658 0.69 STAT3 (0.58) STAT3ALDH1A1GAA

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