Sugi Predict

Sugi Predict / Compounds / SCHEMBL24656182

SCHEMBL24656182

SCHEMBL24656182

CSc1ccc(C(O)CCc2cc(C)c(OC(C)(C)CO)c(C)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.36
▸ PPARD Q03181 3/20 0.36
▸ PPARA Q07869 3/20 0.36
▸ ADRB2 P07550 1/20 0.34
▸ ADRB1 P08588 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ MMP12 P39900 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ ALOX5 P09917 1/20 0.30

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
SCHEMBL2027940 0.84 PPARA (0.52) PPARGPPARDPPARA
SCHEMBL24884149 0.81 PPARG (0.34) PPARGPPARDPPARAADRB2ADRB1
SCHEMBL28931138 0.81 PPARA (0.41) PPARGPPARDPPARAMMP12MMP13
SCHEMBL23158203 0.77 PPARA (0.46) PPARGPPARDPPARAADRB2ADRB1
SCHEMBL23143284 0.77 PPARA (0.46) PPARGPPARDPPARAADRB2ADRB1
SCHEMBL23143285 0.77 PPARA (0.46) PPARGPPARDPPARAADRB2ADRB1
SCHEMBL3513892 0.75 PPARD (0.47) PPARGPPARDPPARA
SCHEMBL23871017 0.74 PPARA (0.46) PPARGPPARDPPARAHTT
SCHEMBL23871140 0.74 PPARA (0.46) PPARGPPARDPPARAHTT
SCHEMBL2030587 0.71 PPARA (0.51) PPARGPPARDPPARA

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-2022189856-A9 COMPOUNDS USEFUL FOR TREATING LIVER DISEASES ABIONYX PHARMA SA (FR) 2022-10-13 — — WO disclosed