SCHEMBL6576396

SCHEMBL6576396

CCN(CC)c1ccc(CSC[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.70
PPARG P37231 10/20 0.70
PPARD Q03181 2/20 0.67
ACE P12821 4/20 0.65
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL6574323 0.90 PPARA (0.69) PPARAPPARGPPARDACE
SCHEMBL6575413 0.88 PPARA (0.73) PPARAPPARGPPARDACE
SCHEMBL6574106 0.88 PPARA (0.73) PPARAPPARGPPARDACE
SCHEMBL8450418 0.86 PPARA (0.70) PPARAPPARGPPARDACE
SCHEMBL6575983 0.85 PPARG (0.69) PPARAPPARGPPARDACE
SCHEMBL7331137 0.84 PPARA (0.89) PPARAPPARGPPARDACE
SCHEMBL8538273 0.84 PPARA (0.89) PPARAPPARGPPARDACE
SCHEMBL4422552 0.84 PPARA (0.89) PPARAPPARGPPARDACE
SCHEMBL3362562 0.84 PPARA (0.90) PPARAPPARGPPARDACE
SCHEMBL3582418 0.84 PPARA (0.90) PPARAPPARGPPARDACE

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-0870762-B1 NOVEL AMINO ACID DERIVATIVES HAVING N,N-DIALKYLAMINOPHENYL GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2004-04-28 EP disclosed
US-5872281-A COMPOUNDS FOR TREATMENT OF RHEUMATIC DISEASES, PSORIASIS, INTESTINAL INFLAMATION SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-02-16 US disclosed
EP-0870762-A1 NOVEL AMINO ACID DERIVATIVES HAVING N,N-DIALKYLAMINOPHENYL GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed