SCHEMBL8538808

SCHEMBL8538808

O=C(O)C(C(O)=S)c1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ACP3 P15309 1/20 0.47
SRC P12931 1/20 0.45
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
NPC1 O15118 2/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
PARP1 P09874 1/20 0.39
CACNA2D1 P54289 2/20 0.39
CACNA1B Q00975 2/20 0.39
CACNB1 Q02641 2/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNA1C Q13936 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL9492209 0.89 SRC (0.58) MEN1KMT2AACP3SRCPPARG
SCHEMBL27780341 0.84 MEN1 (0.50) MEN1KMT2AACP3SRCNPC1
SCHEMBL349034 0.84 MEN1 (0.50) MEN1KMT2AACP3SRCPARP1
SCHEMBL17290331 0.82 MEN1 (0.49) MEN1KMT2AACP3SRCKEAP1
SCHEMBL8538429 0.79 ACP3 (0.47) ACP3SRCPARP1LMNAMAPT
SCHEMBL27278586 0.78 SRC (0.73) KMT2ASRCALDH1A1LMNA
SCHEMBL11000344 0.77 MEN1 (0.54) MEN1KMT2AACP3PPARGPPARA
SCHEMBL15774550 0.77 PARP1 (0.53) MEN1KMT2AACP3ALDH1A1PARP1
SCHEMBL11628563 0.77 ACP3 (0.49) MEN1KMT2AACP3NPC1ALDH1A1
SCHEMBL11458526 0.76 MEN1 (0.47) MEN1KMT2AACP3SRCPPARG

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
US-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US disclosed