SCHEMBL6976097

SCHEMBL6976097

COc1cc(C(C)(C)C)cc2c1OC(=O)C2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
CA2 P00918 1/20 0.36
ELANE P08246 1/20 0.35
CD69 Q07108 1/20 0.35
CYP3A4 P08684 2/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 2/20 0.33
DHODH Q02127 2/20 0.32
KDM4E B2RXH2 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL18050475 0.80 POLB (0.35) ALDH1A1CA12CA9CA2ELANE
SCHEMBL502464 0.79 GABBR2 (0.43) CA12CA9CA2ELANECD69
SCHEMBL29692994 0.79 GABBR2 (0.43) CA12CA9CA2ELANECD69
SCHEMBL8758597 0.72 CYP3A4 (0.41) MAPTALDH1A1SMN1; SMN2CA12CA9
SCHEMBL6313837 0.72 CA2 (0.43) ALDH1A1SMN1; SMN2CA12CA9CA2
SCHEMBL4140771 0.70 CA12 (0.54) MAPTALDH1A1CA12CA9CA2
SCHEMBL16134866 0.70 CYP3A4 (0.62) MAPTALDH1A1SMN1; SMN2CYP3A4LMNA
SCHEMBL6981440 0.70 ALDH1A1 (0.38) MAPTALDH1A1SMN1; SMN2CA9CA2
SCHEMBL8758513 0.69 CA12 (0.37) MAPTALDH1A1SMN1; SMN2CA12CA9
SCHEMBL20094339 0.69 TDP2 (0.37) MAPTALDH1A1SMN1; SMN2ELANECD69

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1159276-B1 BENZOFURAN-2-ONES AS COLORANTS FOR ORGANIC MATERIALS CIBA SC HOLDING AG (CH) 2003-10-22 EP disclosed
EP-1159276-A2 BENZOFURAN-2-ONES AS COLORANTS FOR ORGANIC MATERIALS Ciba SC Holding AG (CH) 2001-12-05 EP disclosed
WO-2000053597-A2 BENZOFURAN-2-ONES AS COLORANTS FOR ORGANIC MATERIALS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-09-14 WO disclosed