SCHEMBL6037857

SCHEMBL6037857

O=C(O)c1ccc(OCCCC(S)C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.59
PKM P14618 1/20 0.57
RARB P10826 5/20 0.56
TSHR P16473 2/20 0.55
TP53 P04637 1/20 0.55
PLA2G4B P0C869 7/20 0.54
ALDH1A1 P00352 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HTT P42858 1/20 0.51
PLA2G4A P47712 1/20 0.49
USP2 O75604 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL10815761 0.85 TDP1 (0.55) PKMALDH1A1L3MBTL1ALOX15
SCHEMBL6037802 0.83 PLA2G4B (0.52) PLA2G4BALDH1A1L3MBTL1ALOX15
SCHEMBL6037793 0.82 KMT2A (0.60) PLA2G4BHTT
SCHEMBL27654982 0.81 PKM (0.58) MAPK1PKMRARBTSHRTP53
SCHEMBL1952122 0.80 TP53 (0.79) MAPK1PKMRARBTSHRTP53
SCHEMBL118037 0.80 PKM (0.77) MAPK1PKMRARBTSHRTP53
SCHEMBL6539739 0.80 MAPK1 (0.84) MAPK1PKMRARBTSHRTP53
SCHEMBL9634846 0.79 PPARG (0.64) MAPK1PKMRARBTSHRTP53
SCHEMBL2180731 0.79 TP53 (0.82) PKMRARBTSHRTP53PLA2G4B
SCHEMBL14097198 0.79 TP53 (0.82) PKMRARBTSHRTP53PLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002057222-A9 THIOL-BASED NAALADASE INHIBITORS GUILFORD PHARM INC (US) 2004-05-06 WO claimed
EP-1353903-A2 THIOL-BASED NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2003-10-22 EP claimed
WO-2002057222-A2 THIOL-BASED NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2002-07-25 WO claimed
WO-2006093991-A1 COMPOUNDS WHICH BIND PSMA AND USES THEREOF THE CLEVELAND CLINIC FOUNDATION (US) 2006-09-08 WO disclosed