SCHEMBL5697183

SCHEMBL5697183

COc1cc(-c2cc(OC)c3c(c2)C(=O)C(=O)N3)cc2c1NC(=O)C2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
CES1 P23141 3/20 0.43
ALDH1A1 P00352 2/20 0.43
ALDH2 P05091 1/20 0.43
ALDH3A1 P30838 1/20 0.43
TGM2 P21980 1/20 0.42
DNMT1 P26358 1/20 0.42
DAO P14920 1/20 0.38
PTPRC P08575 1/20 0.37
PTPN1 P18031 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CHEK1 O14757 4/20 0.36
CASP3 P42574 2/20 0.36
RET P07949 1/20 0.36
CDK4 P11802 1/20 0.36
CCNA2 P20248 1/20 0.36
CCND1 P24385 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
SCHEMBL11362269 0.84 ALDH1A1 (0.53) L3MBTL1CES1ALDH1A1ALDH2ALDH3A1
SCHEMBL16196918 0.82 ALDH1A1 (0.49) L3MBTL1CES1ALDH1A1ALDH2ALDH3A1
SCHEMBL16197155 0.79 BRD4 (0.56) L3MBTL1
SCHEMBL24095605 0.78 L3MBTL1 (0.43) L3MBTL1CES1ALDH1A1ALDH2ALDH3A1
SCHEMBL3070529 0.76 L3MBTL1 (0.48) L3MBTL1CES1ALDH1A1ALDH2ALDH3A1
SCHEMBL27807352 0.76 L3MBTL1 (0.48) L3MBTL1CES1ALDH1A1ALDH2ALDH3A1
SCHEMBL5323040 0.74 L3MBTL1 (0.65) L3MBTL1CES1ALDH1A1DAOCA1
SCHEMBL29506314 0.74 L3MBTL1 (0.65) L3MBTL1CES1ALDH1A1DAOCA1
SCHEMBL25165617 0.71 ALDH1A1 (0.45) L3MBTL1CES1ALDH1A1ALDH2ALDH3A1
SCHEMBL2499173 0.69 ALDH1A1 (0.58) L3MBTL1CES1ALDH1A1TGM2CA1

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-1362579-B1 Agent for dyeing keratinous fibres HENKEL KGAA (DE) 2006-05-24 EP claimed