SCHEMBL6574034

SCHEMBL6574034

CN(C)c1ccc(CSCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.56
PPARG P37231 10/20 0.56
PPARD Q03181 2/20 0.54
ACE P12821 1/20 0.49
CTSK P43235 2/20 0.43
CTSS P25774 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL6576323 0.93 PPARA (0.59) PPARAPPARGPPARDACECTSK
SCHEMBL6575413 0.87 PPARA (0.73) PPARAPPARGPPARDACE
SCHEMBL6574106 0.87 PPARA (0.73) PPARAPPARGPPARDACE
SCHEMBL8447233 0.82 ACE (0.53) ACE
SCHEMBL6575597 0.82 PPARA (0.57) PPARAPPARGPPARDCTSKCTSS
SCHEMBL9956138 0.80 ACE (0.60) PPARAPPARGPPARDACECTSK
SCHEMBL3812722 0.80 ACE (0.60) PPARAPPARGPPARDACECTSK
SCHEMBL3812726 0.80 ACE (0.60) PPARAPPARGPPARDACECTSK
SCHEMBL8450418 0.78 PPARA (0.70) PPARAPPARGPPARDACE
SCHEMBL6576315 0.78 PPARA (0.60) PPARAPPARGPPARDACECTSK

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