SCHEMBL11331809

SCHEMBL11331809

CC(C)(SC(=O)c1ccccc1)C(=O)N[C@@H](CSC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GPR139 Q6DWJ6 1/20 0.45
▸ PPARG P37231 5/20 0.42
▸ PPARA Q07869 5/20 0.42
▸ PPARD Q03181 2/20 0.42
▸ ACE P12821 3/20 0.40
▸ MME P08473 1/20 0.40
▸ ACE2 Q9BYF1 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL8310911 0.80 GPR139 (0.51) GPR139PPARGPPARAPPARDKMT2A
SCHEMBL8310917 0.80 GPR139 (0.51) GPR139PPARGPPARAPPARDKMT2A
SCHEMBL11331818 0.80 ACE (0.43) GPR139PPARGPPARAPPARDACE
SCHEMBL20122472 0.79 ALDH1A1 (0.42) PPARGPPARAACEMMEACE2
SCHEMBL20122473 0.79 MAPT (0.46) ACEMMEACE2KMT2AALDH1A1
SCHEMBL10942540 0.79 PTPN1 (0.50) GPR139PPARGPPARAACE
SCHEMBL10805856 0.79 PTPN1 (0.50) GPR139PPARGPPARAACE
SCHEMBL9300974 0.78 GPR139 (0.44) GPR139PPARGPPARAPPARDACE
SCHEMBL20122445 0.77 ADRB2 (0.41) PPARGPPARAPPARDACEMME
SCHEMBL24779170 0.76 GPR139 (0.50) GPR139ACEMMEACE2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4255446-A SUPPRESSING LIVER DISORDERS SANTEN PHARMACEUTICAL CO. LTD. (JP) 1981-03-10 — — US claimed
US-4255446-A SUPPRESSING LIVER DISORDERS SANTEN PHARMACEUTICAL CO. LTD. (JP) 1981-03-10 — — US disclosed
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