SCHEMBL14039770

SCHEMBL14039770

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 4/20 0.41
▸ LDHA P00338 1/20 0.39
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ MAPT P10636 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ADRB3 P13945 1/20 0.35

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
SCHEMBL14039804 0.88 LDHA (0.40) ACACBLDHAMEN1KMT2AALDH1A1
SCHEMBL11747124 0.83 LDHA (0.56) ACACBLDHAMEN1KMT2AALDH1A1
SCHEMBL14039846 0.81 LDHA (0.39) LDHAMEN1KMT2AALDH1A1
SCHEMBL13623719 0.81 ACACB (0.45) ACACBLDHAMEN1KMT2AALDH1A1
SCHEMBL14040012 0.74 LDHA (0.39) LDHAKMT2AALDH1A1
SCHEMBL14039792 0.74 ANPEP (0.40) LDHAALDH1A1
SCHEMBL5481870 0.73 ACACB (0.57) ACACBLDHAALDH1A1
SCHEMBL4358254 0.73 ACACB (0.57) ACACBLDHAALDH1A1
SCHEMBL14039756 0.73 LDHA (0.38) LDHAKMT2AALDH1A1ADRB3
SCHEMBL20864387 0.69 KMT2A (0.51) MEN1KMT2AALDH1A1MAPT

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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