SCHEMBL14039756

SCHEMBL14039756

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ ALOX15 P16050 3/20 0.36
▸ ALOX12 P18054 2/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SIGMAR1 Q99720 5/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ FOS P01100 1/20 0.33
▸ TTR P02766 1/20 0.33
▸ JUN P05412 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ HSD17B1 P14061 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ ADRB3 P13945 1/20 0.33

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
SCHEMBL14039846 0.86 LDHA (0.39) LDHAALDH1A1ALOX15ALOX12NPC1
SCHEMBL14039792 0.86 ANPEP (0.40) LDHAALDH1A1ALOX15ALOX12NPC1
SCHEMBL14040012 0.86 LDHA (0.39) LDHAALDH1A1ALOX15ALOX12NPC1
SCHEMBL14039804 0.81 LDHA (0.40) LDHAALDH1A1ALOX15PPARAKMT2A
SCHEMBL13623724 0.74 SIGMAR1 (0.43) LDHAALOX15ALOX12SIGMAR1
SCHEMBL13633241 0.73 SIGMAR1 (0.40) LDHAALOX15ALOX12SIGMAR1FOS
SCHEMBL14039770 0.73 ACACB (0.41) LDHAALDH1A1KMT2AADRB3
SCHEMBL13623709 0.72 ADRA1D (0.48) LDHAALOX15ALOX12HTTPKM
Hydrochloric Acid SCHEMBL4365244 0.71 ADRA1D (0.47) LDHAALOX15ALOX12HTTSIGMAR1
SCHEMBL13623743 0.71 SIGMAR1 (0.36) LDHAALOX15ALOX12SIGMAR1FOS

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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