SCHEMBL27711281

SCHEMBL27711281

CCC(=O)c1ccc(OS(C)(=O)=O)cc1NCc1ccc(OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.46
▸ ASPH Q12797 2/20 0.46
▸ KDM8 Q8N371 2/20 0.46
▸ RIOX2 Q8IUF8 1/20 0.46
▸ CD38 P28907 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ FFAR1 O14842 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.39
▸ VNN1 O95497 1/20 0.39
▸ HIF1A Q16665 1/20 0.39

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
SCHEMBL27731790 0.89 CISD1 (0.42) KDM4EASPHKDM8RIOX2CA12
SCHEMBL27711246 0.86 SMN1; SMN2 (0.44) KDM4EASPHKDM8RIOX2CD38
SCHEMBL27731727 0.85 ALDH1A1 (0.47) KDM4EASPHKDM8RIOX2CA12
SCHEMBL27731867 0.84 ELANE (0.39) KDM4EMAPTALDH1A1
SCHEMBL27731821 0.82 MEN1 (0.54) KDM4EASPHKDM8RIOX2MEN1
SCHEMBL27711221 0.82 MEN1 (0.51) KDM4EASPHKDM8RIOX2CD38
SCHEMBL27711447 0.82 GAA (0.50) KDM4EASPHKDM8RIOX2CD38
SCHEMBL9674445 0.82 AKR1C3 (0.49) KDM4EASPHKDM8RIOX2MEN1
SCHEMBL27711215 0.80 ELANE (0.39) KDM4ECA2MAPTALDH1A1
SCHEMBL27731740 0.80 PPARA (0.53) KDM4EASPHKDM8RIOX2MEN1

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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