SCHEMBL8451659

SCHEMBL8451659

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

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.55
PPARG P37231 7/20 0.50
PPARA Q07869 7/20 0.50
PPARD Q03181 2/20 0.50

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
SCHEMBL6577809 0.92 PPARA (0.48) ACEPPARGPPARAPPARD
SCHEMBL8450399 0.91 PPARG (0.48) ACEPPARGPPARAPPARD
SCHEMBL8447586 0.91 ACE (0.46) ACEPPARGPPARAPPARD
SCHEMBL6576098 0.91 ACE (0.48) ACEPPARGPPARAPPARD
SCHEMBL8449806 0.90 ACE (0.56) ACEPPARGPPARAPPARD
SCHEMBL8453551 0.89 ACE (0.43) ACEPPARGPPARAPPARD
SCHEMBL8452692 0.84 PPARA (0.51) ACEPPARGPPARAPPARD
SCHEMBL6574200 0.83 ACE (0.70) ACE
SCHEMBL6575447 0.83 ACE (0.70) ACE
SCHEMBL6575444 0.83 ACE (0.70) ACE

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5872281-A COMPOUNDS FOR TREATMENT OF RHEUMATIC DISEASES, PSORIASIS, INTESTINAL INFLAMATION SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-02-16 US disclosed