SCHEMBL8575631

SCHEMBL8575631

O=CCC(S)C(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.44
TDP1 Q9NUW8 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CES1 P23141 4/20 0.42
CES2 O00748 3/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 3/20 0.42
ALDH1A1 P00352 2/20 0.42
ALKBH5 Q6P6C2 1/20 0.41
PGR P06401 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
KCNH2 Q12809 1/20 0.41
CTNNB1 P35222 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40

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
SCHEMBL13710706 0.78 CES1 (0.48) MDM2TDP1L3MBTL1CES1CES2
SCHEMBL17238644 0.78 MDM2 (0.48) MDM2TDP1L3MBTL1CES1CES2
SCHEMBL10644287 0.77 PGR (0.49) MDM2TDP1L3MBTL1CES1CES2
SCHEMBL8898354 0.76 MAPK1 (0.48) MDM2TDP1L3MBTL1CES1CES2
SCHEMBL3810221 0.76 PGR (0.52) MDM2TDP1L3MBTL1CES1CES2
SCHEMBL5377464 0.76 L3MBTL1 (0.52) MDM2TDP1L3MBTL1CES1CES2
SCHEMBL1128352 0.74 MDM2 (0.66) MDM2MAPK1ALDH1A1MAPTMEN1
SCHEMBL28373292 0.73 CES1 (0.41) MDM2TDP1L3MBTL1CES1CES2
SCHEMBL9019293 0.73 MDM2 (0.41) MDM2TDP1L3MBTL1CES1CES2
SCHEMBL5274104 0.73 TDP1 (0.52) MDM2TDP1L3MBTL1CES1CES2

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
WO-1998015572-A1 A COMPOSITION COMPRISING AN IMMOBILISED, ACYLATED PEPTIDE AKZO NOBEL N.V. (NL) 1998-04-16 WO disclosed