SCHEMBL25736722

SCHEMBL25736722

CC(C)(C)OC(=O)Nc1ccc(OC(=O)CS)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.54
PPARA Q07869 1/20 0.54
LIPE Q05469 1/20 0.48
CYP17A1 P05093 2/20 0.48
PSMB8 P28062 1/20 0.43
NAMPT P43490 1/20 0.43
MAPKAPK2 P49137 4/20 0.43
MAP4K4 O95819 1/20 0.43
OPRK1 P41145 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RAB9A P51151 1/20 0.41
PTPN11 Q06124 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL25736699 0.89 PPARG (0.52) PPARGPPARALIPECYP17A1PSMB8
SCHEMBL1000733 0.87 PPARG (0.58) PPARGPPARALIPECYP17A1PSMB8
SCHEMBL27474162 0.84 PPARG (0.56) PPARGPPARALIPECYP17A1OPRK1
SCHEMBL25736723 0.83 CYP3A4 (0.51) CYP17A1MEN1KMT2ARAB9AALDH1A1
SCHEMBL1162988 0.81 LIPE (0.52) PPARGPPARALIPECYP17A1PSMB8
SCHEMBL4636496 0.81 LIPE (0.52) PPARGPPARALIPECYP17A1PSMB8
SCHEMBL7925081 0.81 CYP17A1 (0.52) CYP17A1PSMB8NAMPTMAPKAPK2MAP4K4
SCHEMBL6665914 0.81 LIPE (0.52) PPARGPPARALIPECYP17A1PSMB8
SCHEMBL13055402 0.80 CYP17A1 (0.59) LIPECYP17A1PSMB8NAMPTMAPKAPK2
SCHEMBL18353040 0.80 LIPE (0.51) PPARGPPARALIPECYP17A1PSMB8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230152698-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-18 US disclosed
US-20230152698-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-18 US disclosed