SCHEMBL11516645

SCHEMBL11516645

CC(S)(Cc1ccccc1)C(=O)N[C@@H](CSCc1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.60
PPARG P37231 4/20 0.57
PPARA Q07869 4/20 0.57
PPARD Q03181 2/20 0.52

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
SCHEMBL9425902 0.85 ACE (0.64) ACEPPARGPPARAPPARD
SCHEMBL11516587 0.85 ACE (0.61) ACEPPARGPPARAPPARD
SCHEMBL11516592 0.82 ACE (0.60) ACEPPARGPPARAPPARD
SCHEMBL9171784 0.82 ACE (0.60) ACEPPARGPPARAPPARD
SCHEMBL5869993 0.82 GRN (0.60) ACE
SCHEMBL9165661 0.82 ACE (0.60) ACEPPARGPPARAPPARD
SCHEMBL8313689 0.81 ACE (0.59) ACEPPARGPPARAPPARD
SCHEMBL7283024 0.79 ACE (0.67) ACEPPARGPPARAPPARD
SCHEMBL7282451 0.79 ACE (0.67) ACEPPARGPPARAPPARD
SCHEMBL2778639 0.79 ACE (0.67) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4137420-A EXPECTORANTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1979-01-30 US claimed