SCHEMBL9520657

SCHEMBL9520657

COc1ccc(OC)c2c1CC(OC=O)OC2C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 5/20 0.40
ACHE P22303 3/20 0.38
PTPRF P10586 1/20 0.34
POLL Q9UGP5 1/20 0.33
ALDH1A1 P00352 2/20 0.31
GAA P10253 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TCF4 P15884 1/20 0.30
CTNNB1 P35222 1/20 0.30

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
SCHEMBL9522184 0.85 ADRA1A (0.38) ADRA1AACHEPTPRF
SCHEMBL8529148 0.84 ADRA1A (0.39) ADRA1AACHEPTPRFPOLLALDH1A1
SCHEMBL8528995 0.75 ADRA1A (0.43) ADRA1AACHEPTPRFPOLLALDH1A1
SCHEMBL8903292 0.72 ADRA1A (0.41) ADRA1AACHEPOLLGAAKDM4E
SCHEMBL9522309 0.69 ADRA1A (0.37) ADRA1AACHEPTPRFALDH1A1
SCHEMBL8902583 0.65 ADRA1A (0.45) ADRA1AACHEPTPRFPOLLALDH1A1
SCHEMBL27354253 0.64 ADRA1A (0.41) ADRA1AACHEPOLLALDH1A1GAA
SCHEMBL13479460 0.63 ADRA1A (0.55) ADRA1AACHEPTPRFALDH1A1GAA
SCHEMBL27394377 0.62 ADRA1A (0.55) ADRA1AACHEPTPRFALDH1A1GAA
SCHEMBL9522522 0.62

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
EP-0533744-A1 HETEROCYCLIC ANTHRACYCLIONE AND ANTHRACYCLINE ANALOGS BIOCHEM PHARMA INC. (CA) 1993-03-31 EP disclosed
WO-1991019725-A2 HETEROCYCLIC ANTHRACYCLIONE AND ANTHRACYCLINE ANALOGS BIOCHEM PHARMA INC. (CA) 1991-12-26 WO disclosed