SCHEMBL14039804

SCHEMBL14039804

COc1ccc(C[C@@H](CSC)NC(C)=O)cc1NS(=O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 1/20 0.40
▸ ACACB O00763 2/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ PPARA Q07869 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ADRB3 P13945 1/20 0.35
▸ MTNR1A P48039 3/20 0.34
▸ MTNR1B P49286 3/20 0.34

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
SCHEMBL14039770 0.88 ACACB (0.41) LDHAACACBMEN1KMT2AALDH1A1
SCHEMBL14039756 0.81 LDHA (0.38) LDHAKMT2APPARAALDH1A1ALOX15
SCHEMBL13623721 0.81 LDHA (0.46) LDHAACACBMEN1KMT2AALDH1A1
SCHEMBL5480635 0.76 ADRA1D (0.45) LDHAACACBMEN1KMT2AALDH1A1
SCHEMBL4356427 0.76 ADRA1D (0.45) LDHAACACBMEN1KMT2AALDH1A1
SCHEMBL4361675 0.76 LDHA (0.41) LDHAACACBMEN1KMT2AALDH1A1
SCHEMBL4367393 0.74 ACACB (0.56) LDHAACACBKMT2APPARAALDH1A1
SCHEMBL14040012 0.73 LDHA (0.39) LDHAKMT2AALDH1A1ALOX15
SCHEMBL14039846 0.73 LDHA (0.39) LDHAMEN1KMT2APPARAALDH1A1
SCHEMBL14039792 0.73 ANPEP (0.40) LDHAPPARAALDH1A1ALOX15

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
EP-1697316-B1 NOVEL INTERMEDIATES FOR THE SYNTHESIS OF (R)-TAMSULOSIN AND OF ITS PHARMACEUTICALLY ACCEPTABLE SALTS AND PROCESS FOR THEIR PREPARATION PROD CHIM AUXILIAIRES ET DE SY (FR) 2008-10-08 — — EP disclosed
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