SCHEMBL27711220

SCHEMBL27711220

C=CCNc1cc(OS(C)(=O)=O)ccc1C(=O)CC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.37
▸ ELANE P08246 1/20 0.35
▸ PRTN3 P24158 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ PKM P14618 1/20 0.34
▸ ENPP3 O14638 1/20 0.33
▸ ENPP1 P22413 1/20 0.33
▸ HCAR3 P49019 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MTNR1A P48039 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ KDM4E B2RXH2 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
SCHEMBL27731867 0.86 ELANE (0.39) GAAALDH1A1ELANEPRTN3SMN1; SMN2
SCHEMBL27711287 0.85 ALDH1A1 (0.45) GAAALDH1A1ELANEPRTN3SMN1; SMN2
SCHEMBL27731903 0.84 GAA (0.42) GAAALDH1A1SMN1; SMN2PKMENPP3
SCHEMBL27711215 0.82 ELANE (0.39) GAAALDH1A1ELANEPRTN3SMN1; SMN2
SCHEMBL27731790 0.80 CISD1 (0.42) GAAALDH1A1ELANEPRTN3SMN1; SMN2
SCHEMBL27711281 0.79 KDM4E (0.46) ALDH1A1CA12CA1CA2CA9
SCHEMBL27731887 0.78 MAOB (0.49) GAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL27711183 0.77 ALDH1A1 (0.50) GAAALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL27711185 0.77 GAA (0.47) GAAALDH1A1SMN1; SMN2HCAR3HSP90AB1
SCHEMBL27731762 0.77 GAA (0.47) GAAALDH1A1SMN1; SMN2HCAR3HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101228142-A Intermediate compounds for the synthesis of pharmaceutical preparations, and process for their preparation MITSUBISHI TANABE PHARMA CORP (JP) 2008-07-23 — — CN claimed
CN-102120741-A Production method of an optically active compound MITSUBISHI TANABE PHARMA CORP 2011-07-13 — — CN disclosed
CN-102050820-A Preparation method of compound with optical activity MITSUBISHI TANABE PHARMA CORP 2011-05-11 — — CN disclosed
CN-101228142-A Intermediate compounds for the synthesis of pharmaceutical preparations, and process for their preparation MITSUBISHI TANABE PHARMA CORP (JP) 2008-07-23 — — CN disclosed
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