SCHEMBL6576249

SCHEMBL6576249

CCN(C)c1ccc(COC[C@H](NC(=O)C(C)CSC(=O)c2ccccc2)C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.45
PPARA Q07869 3/20 0.45
PPARG P37231 2/20 0.45
ACE P12821 10/20 0.41
FOLH1 Q04609 1/20 0.40
MMP9 P14780 1/20 0.37
MMP14 P50281 1/20 0.37
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 1/20 0.36

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
SCHEMBL6576254 1.00 MME (0.45) MMEPPARAPPARGACEFOLH1
SCHEMBL8451271 0.92 ACE (0.51) MMEPPARAPPARGACEFOLH1
SCHEMBL8451005 0.92 ACE (0.49) MMEPPARAPPARGACEFOLH1
SCHEMBL6578419 0.85 ACE (0.59) ACE
SCHEMBL6578424 0.85 ACE (0.59) ACE
SCHEMBL8451673 0.85 ACE (0.59) ACE
SCHEMBL8450544 0.84 ACE (0.48) MMEPPARAPPARGACEFOLH1
SCHEMBL8451023 0.83 MME (0.45) MMEPPARAPPARGACEFOLH1
SCHEMBL6575420 0.83 PPARA (0.48) MMEPPARAPPARGACEFOLH1
SCHEMBL6574332 0.82 ACE (0.54) MMEACE

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