SCHEMBL6578263

SCHEMBL6578263

CNC(=O)[C@H](CSCc1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.60
PPARG P37231 9/20 0.60
PPARD Q03181 2/20 0.55
ACE P12821 2/20 0.53
CTSS P25774 3/20 0.44
CTSK P43235 3/20 0.44
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 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
SCHEMBL6575413 0.88 PPARA (0.73) PPARAPPARGPPARDACE
SCHEMBL6574106 0.88 PPARA (0.73) PPARAPPARGPPARDACE
SCHEMBL5695687 0.87 PPARA (0.70) PPARAPPARGPPARDACECTSS
SCHEMBL6578337 0.85 PPARG (0.62) PPARAPPARGPPARDACECTSS
SCHEMBL6576323 0.81 PPARA (0.59) PPARAPPARGPPARDACECTSS
SCHEMBL8450418 0.80 PPARA (0.70) PPARAPPARGPPARDACE
SCHEMBL6574323 0.79 PPARA (0.69) PPARAPPARGPPARDACE
SCHEMBL6575983 0.79 PPARG (0.69) PPARAPPARGPPARDACE
SCHEMBL6574034 0.78 PPARA (0.56) PPARAPPARGPPARDACECTSS
SCHEMBL6576396 0.77 PPARA (0.70) PPARAPPARGPPARDACEMAPT

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