SCHEMBL6576098

SCHEMBL6576098

CC(C)N(C)c1ccc(CSC[C@H](NC(=O)C(C)(C)CSC(=O)c2ccccc2)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACE P12821 11/20 0.48
PPARG P37231 6/20 0.48
PPARA Q07869 6/20 0.48
PPARD Q03181 2/20 0.48

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
SCHEMBL8451659 0.91 ACE (0.55) ACEPPARGPPARAPPARD
SCHEMBL6577809 0.90 PPARA (0.48) ACEPPARGPPARAPPARD
SCHEMBL8450399 0.89 PPARG (0.48) ACEPPARGPPARAPPARD
SCHEMBL8449806 0.88 ACE (0.56) ACEPPARGPPARAPPARD
SCHEMBL6576378 0.85 ACE (0.59) ACE
SCHEMBL8447318 0.85 ACE (0.59) ACE
SCHEMBL6576380 0.85 ACE (0.59) ACE
SCHEMBL8449653 0.83 ACE (0.59) ACE
SCHEMBL8447586 0.83 ACE (0.46) ACEPPARGPPARAPPARD
SCHEMBL8453551 0.81 ACE (0.43) ACEPPARGPPARAPPARD

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