SCHEMBL7473597

SCHEMBL7473597

CCCc1c(OCCCOc2ccc(CC(=O)O)cc2)ccc2c(CC(C)(C)C)noc12

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 18/20 0.73
PPARA Q07869 18/20 0.73
PPARG P37231 17/20 0.73
NR1H2 P55055 6/20 0.73
NR1H3 Q13133 6/20 0.73
GRM2 Q14416 1/20 0.62

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
SCHEMBL5204898 0.91 PPARA (0.61) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL7038876 0.89 PPARD (0.60) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL7042207 0.89 PPARD (0.60) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL7044588 0.88 PPARG (0.73) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL6368217 0.86 GRM2 (0.59) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL5209083 0.83 PPARA (0.60) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL7039181 0.83 PPARD (0.62) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL7042295 0.83 PPARA (1.00) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL7041508 0.82 PPARG (0.75) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL6925941 0.82 PPARD (0.54) PPARDPPARAPPARGNR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040102-A4 ARYLTHIAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2002-11-27 EP disclosed
EP-1040102-A1 ARYLTHIAZOLIDINEDIONE DERIVATIVES Merck & Co., Inc. (US) 2000-10-04 EP disclosed
WO-1999032465-A1 ARYLTHIAZOLIDINEDIONE DERIVATIVES MERCK & CO., INC. (US) 1999-07-01 WO disclosed