SCHEMBL16601618

SCHEMBL16601618

COC(=O)c1cccc(-c2ccc3c(c2)-c2cc(C)ccc2C(=O)C3=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.54
CA9 Q16790 2/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
ERN1 O75460 2/20 0.50
DHODH Q02127 1/20 0.49
PDK2 Q15119 1/20 0.49
PLAU P00749 3/20 0.47
EGFR P00533 1/20 0.47
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
PGGT1B P53609 1/20 0.46
TCF4 P15884 1/20 0.46
CTNNB1 P35222 1/20 0.46
ALKBH3 Q96Q83 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
PTGS2 P35354 1/20 0.45

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
SCHEMBL514 0.82 CA12 (0.66) CA12CA9CA1CA2ERN1
SCHEMBL7719381 0.81 CA12 (0.59) CA12CA9CA1CA2ERN1
SCHEMBL30285148 0.81 CA12 (0.59) CA12CA9CA1CA2ERN1
SCHEMBL13953925 0.79 CYP46A1 (0.61) CA12CA9CA1CA2ERN1
SCHEMBL26572779 0.79 S1PR4 (0.49) CA12CA9CA1CA2ERN1
SCHEMBL67941 0.79 CA12 (0.68) CA12CA9CA1CA2ERN1
SCHEMBL16601620 0.79 CDK8 (0.54) CA12CA9CA1CA2ERN1
SCHEMBL26120557 0.79 TDP1 (0.53) CA12CA9CA1CA2PTGS2
SCHEMBL31091678 0.78 ERN1 (0.51) CA12CA9CA1CA2ERN1
SCHEMBL31091675 0.78 ERN1 (0.51) CA12CA9CA1CA2ERN1

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
US-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed
US-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed