SCHEMBL6576269

SCHEMBL6576269

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

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.69
PPARG P37231 6/20 0.66
CTSS P25774 2/20 0.53
RAB9A P51151 1/20 0.47
KLK7 P49862 2/20 0.46
KLK5 Q9Y337 2/20 0.46
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
PPARD Q03181 2/20 0.44
PTPN1 P18031 4/20 0.44
CDC25B P30305 4/20 0.44
PTPN2 P17706 3/20 0.44
CDC25A P30304 2/20 0.44
PTPN6 P29350 1/20 0.44
PTPN11 Q06124 1/20 0.44
CTSK P43235 1/20 0.43
ACE P12821 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
SCHEMBL6575957 0.90 PPARA (0.70) PPARAPPARGCTSSRAB9AKLK7
SCHEMBL6578294 0.90 PPARA (0.73) PPARAPPARGCTSSRAB9AKLK7
SCHEMBL6577913 0.90 PPARA (0.73) PPARAPPARGCTSSRAB9AKLK7
SCHEMBL12130757 0.88 PPARA (0.85) PPARAPPARGCTSSRAB9AKLK7
SCHEMBL14058699 0.83 PPARA (0.78) PPARAPPARGCTSSRAB9AKLK7
SCHEMBL14058698 0.83 PPARA (0.78) PPARAPPARGCTSSRAB9AKLK7
SCHEMBL828674 0.83 PPARA (0.90) PPARAPPARGCTSSRAB9AKLK7
SCHEMBL1132901 0.83 PPARA (0.90) PPARAPPARGCTSSRAB9AKLK7
SCHEMBL17051 0.83 PPARA (0.90) PPARAPPARGCTSSRAB9AKLK7
SCHEMBL6577875 0.83 PPARA (0.47) PPARAPPARGCTSSRAB9AACE

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