SCHEMBL5801933

SCHEMBL5801933

CC(C)(C)OC(=O)NC(CSCc1ccc(NC(=O)Cn2ccc3cc(F)ccc32)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.52
PPARA Q07869 9/20 0.52
PPARD Q03181 2/20 0.51
NTSR1 P30989 5/20 0.44
KMT2A Q03164 1/20 0.42
ACE P12821 1/20 0.42
RAB9A P51151 1/20 0.41
FOLH1 Q04609 1/20 0.41
PABPC1 P11940 1/20 0.40

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
SCHEMBL13897462 1.00 PPARG (0.52) PPARGPPARAPPARDNTSR1KMT2A
SCHEMBL3863932 1.00 PPARG (0.52) PPARGPPARAPPARDNTSR1KMT2A
SCHEMBL3866470 0.88 PPARA (0.61) PPARGPPARAPPARDNTSR1
SCHEMBL3872672 0.86 PPARA (0.54) PPARGPPARAPPARDNTSR1
SCHEMBL3867975 0.85 NTSR1 (0.42) NTSR1ACEPABPC1
SCHEMBL3864929 0.81 PPARG (0.50) PPARGPPARAPPARDNTSR1
SCHEMBL4819840 0.73 NTSR1 (0.48) PPARGPPARAPPARDNTSR1KMT2A
SCHEMBL4824100 0.72 PTPN1 (0.45) PPARAPPARDNTSR1
SCHEMBL11331399 0.72 PPARA (0.89) PPARGPPARAPPARDACE
SCHEMBL1278177 0.72 PPARA (0.89) PPARGPPARAPPARDACE

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
EP-1622886-A2 SUBSTITUTED AMINO CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B The Institutes for Pharmaceutical Discovery, LLC (US) 2006-02-08 EP disclosed
WO-2004099171-A2 SUBSTITUTED AMINO CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-11-18 WO disclosed