SCHEMBL5026152

SCHEMBL5026152

CC(S)C(CCOc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.51
▸ PKM P14618 1/20 0.49
▸ PPARG P37231 2/20 0.48
▸ PPARA Q07869 2/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ HPGD P15428 1/20 0.47
▸ MTNR1A P48039 4/20 0.45
▸ MTNR1B P49286 4/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ ALOX5 P09917 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ PARP10 Q53GL7 1/20 0.42
▸ KCNA3 P22001 1/20 0.42

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
SCHEMBL10817581 0.80 PPARG (0.56) MAPK1PKMPPARGPPARATDP1
SCHEMBL1716121 0.80 MAPK1 (0.53) MAPK1PKMPPARGPPARATDP1
SCHEMBL10919969 0.80 PPARG (0.56) MAPK1PKMPPARGPPARATDP1
SCHEMBL29432927 0.78 TDP1 (0.40) MAPK1PKMPPARGPPARATDP1
SCHEMBL21096683 0.77 KCNA3 (0.54) MAPK1PKMTDP1LMNAALDH1A1
SCHEMBL1805351 0.77 TDP1 (0.57) MAPK1PKMPPARGPPARATDP1
SCHEMBL7363754 0.75 PPARG (0.55) MAPK1PKMPPARGPPARATDP1
SCHEMBL10815761 0.75 TDP1 (0.55) PKMPPARGPPARATDP1HPGD
SCHEMBL13235836 0.75 MTNR1A (0.53) MAPK1PKMPPARGPPARATDP1
SCHEMBL8911823 0.75 TDP1 (0.55) MAPK1PKMPPARGPPARATDP1

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-1983017-A1 CURABLE COMPOSITION CONTAINING THIOL COMPOUND Showa Denko K.K. (JP) 2008-10-22 — — EP disclosed
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