SCHEMBL13869967

SCHEMBL13869967

CCCCc1ccc(O)c2sc(C)c(C(=O)OCC)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.43
▸ CA1 P00915 3/20 0.43
▸ CA2 P00918 3/20 0.43
▸ CA7 P43166 3/20 0.43
▸ CA9 Q16790 3/20 0.43
▸ CA14 Q9ULX7 3/20 0.43
▸ MAPT P10636 5/20 0.40
▸ FHIT P49789 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ NR1H2 P55055 1/20 0.39
▸ NR1H3 Q13133 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ TSHR P16473 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
SCHEMBL13848534 0.88 MAPT (0.48) CA12CA1CA2CA7CA9
SCHEMBL13886690 0.84 MAPT (0.59) MAPTLMNAALOX12KDM4EALDH1A1
SCHEMBL13869904 0.81 SMN1; SMN2 (0.51) CA12CA1CA2CA7CA9
SCHEMBL13869871 0.75 MAPT (0.47) CA12CA1CA2CA7CA9
SCHEMBL3984848 0.71 MAPT (0.67) MAPTFHITALDH1A1GAASMN1; SMN2
SCHEMBL29266100 0.69 NR1H2 (0.59) CA12CA1CA2CA7CA9
SCHEMBL13848532 0.69 MAPT (0.49) CA12CA1CA2CA7CA9
SCHEMBL11688995 0.69 TSHR (0.46) CA12CA1CA2CA7CA9
SCHEMBL27853304 0.68 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL3990785 0.68 KMT2A (0.69) MAPTLMNAALOX12KDM4EALDH1A1

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
US-7524853-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2009-04-28 — — US disclosed
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