SCHEMBL9300974

SCHEMBL9300974

CSC[C@H](NC(=O)C(C)(C)CSC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GPR139 Q6DWJ6 1/20 0.44
▸ PPARG P37231 5/20 0.41
▸ PPARA Q07869 5/20 0.41
▸ PPARD Q03181 2/20 0.41
▸ ACE P12821 2/20 0.40
▸ MME P08473 1/20 0.40
▸ ACE2 Q9BYF1 1/20 0.40
▸ FNTA P49354 1/20 0.38
▸ FNTB P49356 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ GRN P28799 1/20 0.38
▸ SORT1 Q99523 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RIPK1 Q13546 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
SCHEMBL8451659 0.81 ACE (0.55) PPARGPPARAPPARDACE
SCHEMBL6577809 0.80 PPARA (0.48) PPARGPPARAPPARDACE
SCHEMBL8449806 0.80 ACE (0.56) PPARGPPARAPPARDACEKMT2A
SCHEMBL8450399 0.79 PPARG (0.48) PPARGPPARAPPARDACE
SCHEMBL6576098 0.79 ACE (0.48) PPARGPPARAPPARDACE
SCHEMBL11331809 0.78 GPR139 (0.45) GPR139PPARGPPARAPPARDACE
SCHEMBL8452692 0.76 PPARA (0.51) PPARGPPARAPPARDACEMME
SCHEMBL8447586 0.75 ACE (0.46) PPARGPPARAPPARDACEKMT2A
SCHEMBL4954825 0.74 FNTA (0.54) PPARGPPARAACEFNTAFNTB
SCHEMBL11331818 0.74 ACE (0.43) GPR139PPARGPPARAPPARDACE

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
US-5292926-A Cysteine derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 1994-03-08 — — US disclosed
EP-0326326-B1 CYSTEINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1993-01-07 — — EP disclosed
EP-0326326-A1 Cysteine derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 1989-08-02 — — EP disclosed
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