SCHEMBL16310609

SCHEMBL16310609

CC(C)(C)OC(=O)N[C@@H](CC(CN=N)SSC(C)(C)C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 11/20 0.42
▸ PPARG P37231 10/20 0.42
▸ PPARD Q03181 2/20 0.41
▸ CTSS P25774 5/20 0.39
▸ CTSK P43235 5/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ ACE P12821 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ CAPN1 P07384 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
SCHEMBL15083192 0.90 CYP1A2 (0.38) PPARAPPARGPPARDCTSSCTSK
SCHEMBL16310468 0.90 CYP1A2 (0.38) PPARAPPARGPPARDCTSSCTSK
SCHEMBL23056574 0.89 PPARA (0.39) PPARAPPARGPPARDCTSSCTSK
SCHEMBL15083495 0.89 PPARA (0.43) PPARAPPARGPPARDCTSSCTSK
SCHEMBL23157235 0.89 PPARA (0.43) PPARAPPARGPPARDCTSSCTSK
SCHEMBL16289576 0.86 PPARA (0.38) PPARAPPARGPPARDCTSSCTSK
SCHEMBL16289577 0.86 PPARA (0.38) PPARAPPARGPPARDCTSSCTSK
SCHEMBL16289575 0.86 PPARA (0.38) PPARAPPARGPPARDCTSSCTSK
SCHEMBL15083450 0.83 CTSS (0.41) CTSSCTSKCTSLCTSBCYP1A2
SCHEMBL23157224 0.81 CYP1A2 (0.38) PPARAPPARGPPARDCTSSCTSK

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
EP-2813512-B1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI PHARMACEUTICAL CO LTD (JP) 2021-03-31 — — EP disclosed
EP-2813512-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD Chugai Seiyaku Kabushiki Kaisha (JP) 2014-12-17 — — EP disclosed
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