SCHEMBL19217588

SCHEMBL19217588

CCC1=CC=C(C(COc2ccc(CC3(C)SC(=O)NC3=O)cc2)OC(=O)c2ccccc2)NC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 4/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL19559715 0.87 — —
SCHEMBL16491937 0.81 PPARG (0.45) PPARGMEN1LMNATSHRALOX12
SCHEMBL6931095 0.81 PPARG (0.45) PPARGMEN1LMNATSHRALOX12
SCHEMBL6928360 0.79 PPARG (0.36) PPARGMEN1LMNATSHRALOX12
SCHEMBL17546497 0.70 PPARG (0.45) PPARGMEN1LMNATSHRKMT2A
SCHEMBL6931373 0.70 PPARG (0.35) PPARGMEN1LMNAKMT2A
SCHEMBL6931166 0.70 PPARG (0.48) PPARGLMNA
SCHEMBL6931096 0.70 PPARG (0.48) PPARGLMNA
SCHEMBL19217746 0.70 PPARG (0.49) PPARGMEN1TSHRKMT2A
SCHEMBL16491938 0.69 PPARG (0.45) PPARG

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
EP-3202401-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES Octeta Therapeutics, LLC (US) 2017-08-09 — — EP disclosed
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