SCHEMBL21263585

SCHEMBL21263585

CCC(C)c1ccc(Cc2ccc(N3C(=O)c4ccc(C(C)=O)cc4C3=O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 6/20 0.46
▸ CA1 P00915 5/20 0.46
▸ CA2 P00918 3/20 0.46
▸ CA4 P22748 3/20 0.46
▸ MET P08581 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ CA12 O43570 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ STAT3 P40763 1/20 0.43
▸ POLB P06746 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ PPARA Q07869 2/20 0.41
▸ PPARG P37231 1/20 0.41
▸ PPARD Q03181 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ GFER P55789 1/20 0.40
▸ PLA2G1B P04054 1/20 0.40
▸ ATG4B Q9Y4P1 1/20 0.40

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
SCHEMBL19027459 1.00 CA9 (0.46) CA9CA1CA2CA4MET
SCHEMBL21155327 0.87 CA9 (0.47) CA9CA1CA2CA4MET
SCHEMBL23098252 0.83 POLB (0.58) CA9CA1CA2CA4MET
SCHEMBL12300252 0.82 ALDH1A1 (0.52) CA9CA1CA2CA4MET
SCHEMBL675762 0.81 POLB (0.54) CA9CA1CA2CA4MET
SCHEMBL14495031 0.80 MET (0.67) CA9CA1CA2CA4MET
SCHEMBL19389722 0.79 ALDH1A1 (0.46) CA9CA1CA2CA4ALDH1A1
SCHEMBL14016924 0.78 CA9 (0.64) CA9CA1CA2CA4MET
SCHEMBL9564296 0.76 CA9 (0.66) CA9CA1CA2CA4ALDH1A1
SCHEMBL26228851 0.76 CA9 (0.63) CA9CA1CA2CA4MET

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
WO-2019155073-A1 FLUOROELASTOMER CURABLE COMPOSITION SOLVAY SPECIALTY POLYMERS ITALY S.P.A. (IT) 2019-08-15 — — WO disclosed
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