SCHEMBL6578345

SCHEMBL6578345

CN(C)c1cccc(COC[C@H](NC(=O)OC(C)(C)C)C(=O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.67
PPARG P37231 4/20 0.62
CTSS P25774 4/20 0.55
ACE P12821 1/20 0.49
RAB9A P51151 1/20 0.48
KLK7 P49862 2/20 0.47
KLK5 Q9Y337 2/20 0.47
PTPN1 P18031 4/20 0.45
CDC25B P30305 4/20 0.45
PTPN2 P17706 3/20 0.45
CDC25A P30304 2/20 0.45
PTPN6 P29350 1/20 0.45
PTPN11 Q06124 1/20 0.45
CTSB P07858 2/20 0.44
CTSK P43235 2/20 0.44
PPARD Q03181 2/20 0.43
CTSL P07711 1/20 0.43
FOLH1 Q04609 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
SCHEMBL6578294 0.86 PPARA (0.73) PPARAPPARGCTSSACERAB9A
SCHEMBL6577913 0.86 PPARA (0.73) PPARAPPARGCTSSACERAB9A
SCHEMBL14056987 0.85 PPARA (0.71) PPARAPPARGCTSSACERAB9A
SCHEMBL14056985 0.85 PPARA (0.71) PPARAPPARGCTSSACERAB9A
SCHEMBL17051 0.85 PPARA (0.90) PPARAPPARGCTSSACERAB9A
SCHEMBL1132901 0.85 PPARA (0.90) PPARAPPARGCTSSACERAB9A
SCHEMBL828674 0.85 PPARA (0.90) PPARAPPARGCTSSACERAB9A
SCHEMBL4997399 0.84 PPARA (0.70) PPARAPPARGCTSSACERAB9A
SCHEMBL4997387 0.84 PPARA (0.70) PPARAPPARGCTSSACERAB9A
SCHEMBL14058124 0.83 PPARA (0.69) PPARAPPARGCTSSACERAB9A

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