SCHEMBL11331981

SCHEMBL11331981

CCC(C(=O)O)S(=O)(=O)c1nc2ccccc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB8 P28062 1/20 0.51
▸ PSMB5 P28074 1/20 0.51
▸ ALDH1A1 P00352 5/20 0.50
▸ HTT P42858 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA4 P22748 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ CA14 Q9ULX7 1/20 0.50
▸ SMN1; SMN2 Q16637 7/20 0.45
▸ NPC1 O15118 5/20 0.45
▸ RAB9A P51151 5/20 0.45
▸ HPGD P15428 2/20 0.45
▸ ALOX15 P16050 1/20 0.44

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
SCHEMBL327213 0.84 ALDH1A1 (0.58) PSMB8PSMB5ALDH1A1HTTLMNA
SCHEMBL10047096 0.76 PSMB8 (0.64) PSMB8PSMB5ALDH1A1HTTLMNA
SCHEMBL30149949 0.75 ALDH1A1 (0.67) PSMB8PSMB5ALDH1A1HTTLMNA
SCHEMBL3595617 0.75 ALDH1A1 (0.67) PSMB8PSMB5ALDH1A1HTTLMNA
SCHEMBL24214205 0.74 PSMB8 (0.50) PSMB8PSMB5ALDH1A1HTTLMNA
SCHEMBL7635377 0.74 PSMB8 (0.65) PSMB8PSMB5ALDH1A1HTTLMNA
SCHEMBL31123708 0.73 PSMB8 (0.69) PSMB8PSMB5ALDH1A1HTTLMNA
SCHEMBL21682157 0.73 PSMB8 (0.69) PSMB8PSMB5ALDH1A1HTTLMNA
Hydrochloric Acid SCHEMBL9097069 0.73 CA2 (0.50) PSMB8PSMB5ALDH1A1HTTLMNA
SCHEMBL16625012 0.73 ALDH1A1 (0.60) PSMB8PSMB5ALDH1A1HTTLMNA

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-0044497-A2 Process for the production of heterocyclic substituted derivatives of 4-oxyphenoxy-alkane-carbonic acid HOECHST AKTIENGESELLSCHAFT (DE) 1982-01-27 — — EP disclosed
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