SCHEMBL10655084

SCHEMBL10655084

Cc1ccc(C(=O)NC(CSCC(=O)O)C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
ACE P12821 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA2 P00918 10/20 0.46
CA1 P00915 5/20 0.46
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
ICMT O60725 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL10655093 1.00 PPARG (0.50) PPARGPPARAACEMEN1KMT2A
SCHEMBL12198216 0.86 CA2 (0.52) PPARGPPARAMEN1KMT2ASMN1; SMN2
SCHEMBL2806085 0.86 ALDH1A1 (0.50) PPARGPPARAACECA2CA1
SCHEMBL2806082 0.86 ALDH1A1 (0.50) PPARGPPARAACECA2CA1
SCHEMBL10659527 0.85 CA2 (0.54) PPARGPPARAACEKMT2ACA2
SCHEMBL10659530 0.85 CA2 (0.54) PPARGPPARAACEKMT2ACA2
SCHEMBL11657971 0.83 GAA (0.50) MEN1KMT2ASMN1; SMN2CA2CA1
SCHEMBL1640055 0.82 CA2 (0.66) CA2CA1HPGDLMNA
SCHEMBL8379946 0.82 CA2 (0.66) CA2CA1HPGDLMNA
SCHEMBL6739798 0.81 ACE (0.62) PPARGPPARAACELMNA

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