SCHEMBL13752255

SCHEMBL13752255

CCc1c(O)ccc2c1C(=O)C(O)=C(C)C2=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.37
▸ ALDH1A1 P00352 7/20 0.37
▸ KDM4E B2RXH2 6/20 0.37
▸ MEN1 O00255 6/20 0.37
▸ MAPT P10636 6/20 0.37
▸ KMT2A Q03164 6/20 0.37
▸ HPGD P15428 5/20 0.37
▸ MAPK1 P28482 5/20 0.37
▸ RECQL P46063 5/20 0.37
▸ HSD17B10 Q99714 4/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ ALOX15 P16050 3/20 0.37
▸ TDP1 Q9NUW8 3/20 0.37
▸ THRB P10828 3/20 0.37
▸ MAOA P21397 2/20 0.37
▸ APEX1 P27695 2/20 0.37
▸ RAF1 P04049 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ MAP2K1 Q02750 2/20 0.37
▸ USP2 O75604 2/20 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
SCHEMBL12846567 0.79 MAPT (0.41) STAT3ALDH1A1KDM4EMEN1MAPT
Dioncoquinone B SCHEMBL3401149 0.79 MEN1 (0.60) STAT3ALDH1A1KDM4EMEN1MAPT
SCHEMBL12846651 0.75 STAT3 (0.36) STAT3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5810491 0.72 MEN1 (0.52) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL30004289 0.72 MEN1 (0.52) ALDH1A1KDM4EMEN1MAPTKMT2A
Droserone SCHEMBL5858407 0.72 MAOA (0.67) STAT3ALDH1A1KDM4EMEN1MAPT
Droserone SCHEMBL30003199 0.72 MAOA (0.67) STAT3ALDH1A1KDM4EMEN1MAPT
SCHEMBL16528190 0.68 GABRA1 (0.41) ESR1ESR2TRPA1
SCHEMBL30026897 0.66 TRPA1 (0.48) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL858277 0.66 TRPA1 (0.48) ALDH1A1KDM4EHPGDHSD17B10TP53

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
EP-2093207-A1 Antiinfective and antitumoral compounds isolated from tropical lianas Julius-Maximilians-Universität Würzburg (DE) 2009-08-26 — — EP disclosed
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