SCHEMBL6577870

SCHEMBL6577870

CCN(C)c1ccc(COCC(NC(=O)C(C)(C)CS)C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.47
PPARG P37231 1/20 0.45
MME P08473 2/20 0.43
FOLH1 Q04609 1/20 0.40
ACE P12821 4/20 0.37
GRN P28799 1/20 0.37
SORT1 Q99523 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
CTSS P25774 2/20 0.36
S1PR1 P21453 1/20 0.33
MMP9 P14780 1/20 0.33
MMP14 P50281 1/20 0.33
RAB9A P51151 1/20 0.33
CNR2 P34972 1/20 0.32

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
SCHEMBL6577875 1.00 PPARA (0.47) PPARAPPARGMMEFOLH1ACE
SCHEMBL8452174 0.90 PPARA (0.47) PPARAPPARGMMEFOLH1ACE
SCHEMBL8450626 0.90 PPARA (0.49) PPARAPPARGMMEFOLH1ACE
SCHEMBL6576269 0.83 PPARA (0.69) PPARAPPARGACECTSSRAB9A
SCHEMBL6575420 0.83 PPARA (0.48) PPARAPPARGMMEFOLH1ACE
SCHEMBL6574326 0.82 ACE (0.54) MMEACE
SCHEMBL6574332 0.82 ACE (0.54) MMEACE
SCHEMBL6578261 0.82 ACE (0.57) ACE
SCHEMBL8450604 0.82 ACE (0.57) ACE
SCHEMBL8449770 0.82 ACE (0.43) PPARAPPARGMMEFOLH1ACE

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