SCHEMBL19780919

SCHEMBL19780919

CCCCCCOc1ccc(C(=O)NC(CCCSC)C(=O)NO)cc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.63
PPARA Q07869 1/20 0.54
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
MMP1 P03956 2/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
PLA2G4B P0C869 1/20 0.46
TAOK1 Q7L7X3 1/20 0.45
TAOK3 Q9H2K8 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
SCHEMBL19780914 1.00 PPARG (0.63) PPARGPPARATAS1R3TAS1R1MMP1
SCHEMBL19780917 0.84 PPARG (0.71) PPARGPPARATAS1R3TAS1R1MMP1
SCHEMBL19781294 0.80 PPARG (0.64) PPARGPPARAMMP1TP53TSHR
SCHEMBL19781324 0.78 PPARG (1.00) PPARGPPARAMMP1TP53TSHR
SCHEMBL19781328 0.78 PPARG (1.00) PPARGPPARAMMP1TP53TSHR
SCHEMBL2310923 0.77 PPARG (0.70) PPARGPPARATAS1R3TAS1R1TP53
SCHEMBL19781423 0.77 PPARG (0.58) PPARGPPARA
SCHEMBL19780890 0.76 PPARG (0.60) PPARGPPARATAS1R3TAS1R1MMP1
SCHEMBL2316696 0.76 TAS1R3 (0.65) PPARGPPARATAS1R3TAS1R1TP53
SCHEMBL13366183 0.75 TAS1R3 (0.55) PPARGTAS1R3TAS1R1TP53

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-2018011230-A1 PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA AGONISTS, METHOD OF PREPARATION AND USES THEREOF UNIVERSITE D'AIX-MARSEILLE (FR) 2018-01-18 WO disclosed