SCHEMBL8780973

SCHEMBL8780973

CCOC(=O)Nc1ccc(SC)c(O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
RAB9A P51151 4/20 0.54
HSD17B10 Q99714 4/20 0.54
HPGD P15428 4/20 0.54
CYP1A2 P05177 3/20 0.54
CYP2C9 P11712 3/20 0.54
CYP2C19 P33261 3/20 0.54
CYP2D6 P10635 2/20 0.54
MAPK1 P28482 2/20 0.54
ALOX15 P16050 2/20 0.54
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
NPC1 O15118 3/20 0.51
CYP3A4 P08684 1/20 0.51
HTT P42858 1/20 0.51
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
ALDH1A1 P00352 5/20 0.48

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
SCHEMBL9498689 0.81 POLB (0.67) POLBRAB9AHSD17B10HPGDCYP1A2
SCHEMBL24703392 0.80 POLB (0.65) POLBRAB9AHSD17B10HPGDCYP1A2
SCHEMBL9526088 0.79 POLB (0.63) POLBRAB9AHSD17B10HPGDCYP1A2
SCHEMBL8780994 0.78 PKM (0.56) POLBRAB9AHSD17B10CYP1A2CYP2C19
SCHEMBL10494904 0.78 ALDH1A1 (0.65) POLBRAB9AHSD17B10HPGDCYP1A2
SCHEMBL8602686 0.78 RAB9A (0.70) POLBRAB9AHSD17B10HPGDCYP1A2
SCHEMBL7565510 0.77 RAB9A (0.71) POLBRAB9AHSD17B10HPGDCYP1A2
Hydrochloric Acid SCHEMBL9628023 0.77 POLB (0.60) POLBRAB9AHSD17B10HPGDCYP1A2
SCHEMBL14209030 0.77 POLB (0.60) POLBRAB9AHSD17B10HPGDCYP1A2
SCHEMBL23139490 0.77 POLB (0.60) POLBRAB9AHSD17B10HPGDCYP1A2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0589952-B1 USE OF SUPLHUR METAAMINOPHENOLS FOR DYEING KERATINIC FIBRES, TINCTORIAL COMPOSITIONS AND NOVEL COMPOUNDS OREAL (FR) 1997-08-27 EP claimed
EP-0589952-A1 USE OF SUPLHUROUS METAAMINOPHENOLS FOR DYING KERATINIC FIBRES, TINCTORIAL COMPOSITIONS AND NOVEL COMPOUNDS. OREAL (FR) 1994-04-06 EP claimed
WO-1992022525-A1 USE OF SUPLHUROUS METAAMINOPHENOLS FOR DYING KERATINIC FIBRES, TINCTORIAL COMPOSITIONS AND NOVEL COMPOUNDS L'OREAL (FR) 1992-12-23 WO claimed
EP-0589952-B1 USE OF SUPLHUR METAAMINOPHENOLS FOR DYEING KERATINIC FIBRES, TINCTORIAL COMPOSITIONS AND NOVEL COMPOUNDS OREAL (FR) 1997-08-27 EP disclosed
US-5478359-A Applying a hair dyes L'OREAL (FR) 1995-12-26 US disclosed
EP-0589952-A1 USE OF SUPLHUROUS METAAMINOPHENOLS FOR DYING KERATINIC FIBRES, TINCTORIAL COMPOSITIONS AND NOVEL COMPOUNDS. OREAL (FR) 1994-04-06 EP disclosed
WO-1992022525-A1 USE OF SUPLHUROUS METAAMINOPHENOLS FOR DYING KERATINIC FIBRES, TINCTORIAL COMPOSITIONS AND NOVEL COMPOUNDS L'OREAL (FR) 1992-12-23 WO disclosed