SCHEMBL13869904

SCHEMBL13869904

CCOC(=O)c1c(C)sc2c(O)ccc(Cc3ccccc3)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MAPT P10636 6/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ HPGD P15428 2/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ RAD52 P43351 1/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL13848532 0.88 MAPT (0.49) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL13886692 0.85 MAPT (0.60) SMN1; SMN2MAPTALDH1A1HPGDMEN1
SCHEMBL13869967 0.81 CA12 (0.43) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL13869878 0.76 MAPT (0.49) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL3990578 0.72 MAPT (0.64) SMN1; SMN2TDP1MAPTALDH1A1HPGD
SCHEMBL13848534 0.69 MAPT (0.48) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL6395023 0.69 SMN1; SMN2 (0.60) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL3902129 0.69 ALDH1A1 (0.61) SMN1; SMN2TDP1MAPTALDH1A1HPGD
SCHEMBL13343534 0.69 MAPT (0.64) SMN1; SMN2TDP1MAPTALDH1A1HPGD
SCHEMBL13869871 0.68 MAPT (0.47) SMN1; SMN2CA12CA1CA2CA7

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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