SCHEMBL10659530

SCHEMBL10659530

COc1ccc(C(=O)N[C@@H](CSCC(=O)O)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.54
PPARG P37231 1/20 0.54
PPARA Q07869 1/20 0.54
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
ACE P12821 2/20 0.51
ALDH1A1 P00352 3/20 0.49
CYP3A4 P08684 1/20 0.49
CA1 P00915 2/20 0.49
ICMT O60725 1/20 0.48
PTPN1 P18031 1/20 0.47
PLK1 P53350 1/20 0.46
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL10659527 1.00 CA2 (0.54) CA2PPARGPPARAMAPTKMT2A
SCHEMBL10655093 0.85 PPARG (0.50) CA2PPARGPPARAKMT2AACE
SCHEMBL10655084 0.85 PPARG (0.50) CA2PPARGPPARAKMT2AACE
SCHEMBL714972 0.83 CA2 (0.61) CA2TAS1R3TAS1R1ALDH1A1CYP3A4
SCHEMBL9830591 0.83 CA2 (0.61) CA2TAS1R3TAS1R1ALDH1A1CYP3A4
SCHEMBL2806082 0.83 ALDH1A1 (0.50) CA2PPARGPPARAACEALDH1A1
SCHEMBL2806085 0.83 ALDH1A1 (0.50) CA2PPARGPPARAACEALDH1A1
SCHEMBL9829563 0.81 CA2 (0.63) CA2TAS1R3TAS1R1ALDH1A1CYP3A4
SCHEMBL9829566 0.81 CA2 (0.63) CA2TAS1R3TAS1R1ALDH1A1CYP3A4
SCHEMBL18979327 0.80 CA2 (0.59) CA2TAS1R3TAS1R1ACEALDH1A1

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-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed