SCHEMBL11331818

SCHEMBL11331818

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 4/20 0.43
▸ MME P08473 1/20 0.43
▸ ACE2 Q9BYF1 1/20 0.43
▸ GPR139 Q6DWJ6 1/20 0.41
▸ PPARG P37231 4/20 0.39
▸ PPARA Q07869 4/20 0.39
▸ PPARD Q03181 2/20 0.39
▸ KMT2A Q03164 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL11331809 0.80 GPR139 (0.45) ACEMMEACE2GPR139PPARG
SCHEMBL8310917 0.76 GPR139 (0.51) GPR139PPARGPPARAPPARDKMT2A
SCHEMBL8310911 0.76 GPR139 (0.51) GPR139PPARGPPARAPPARDKMT2A
SCHEMBL10942540 0.75 PTPN1 (0.50) ACEGPR139PPARGPPARA
SCHEMBL10805856 0.75 PTPN1 (0.50) ACEGPR139PPARGPPARA
SCHEMBL9300974 0.74 GPR139 (0.44) ACEMMEACE2GPR139PPARG
SCHEMBL24779170 0.72 GPR139 (0.50) ACEMMEACE2GPR139KMT2A
SCHEMBL10363720 0.72 PAM (0.52) GPR139PPARGPPARAPPARDKMT2A
SCHEMBL23152575 0.72 GPR139 (0.50) ACEMMEACE2GPR139KMT2A
SCHEMBL23152578 0.72 GPR139 (0.50) ACEMMEACE2GPR139KMT2A

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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