SCHEMBL15083495

SCHEMBL15083495

CSSC(CN=N)C[C@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 11/20 0.43
▸ PPARG P37231 10/20 0.43
▸ PPARD Q03181 2/20 0.41
▸ CTSS P25774 5/20 0.40
▸ CTSK P43235 5/20 0.40
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ 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 0.36

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
SCHEMBL23157235 1.00 PPARA (0.43) PPARAPPARGPPARDCTSSCTSK
SCHEMBL23157106 0.90 CYP1A2 (0.39) PPARAPPARGPPARDCTSSCTSK
SCHEMBL15083181 0.90 CYP1A2 (0.39) PPARAPPARGPPARDCTSSCTSK
SCHEMBL16310609 0.89 PPARA (0.42) PPARAPPARGPPARDCTSSCTSK
SCHEMBL23056299 0.89 PPARA (0.40) PPARAPPARGPPARDCTSSCTSK
SCHEMBL16574725 0.88 PPARA (0.40) PPARAPPARGPPARDCTSSCTSK
SCHEMBL16289141 0.85 PPARA (0.38) PPARAPPARGPPARDCTSSCTSK
SCHEMBL16289142 0.85 PPARA (0.38) PPARAPPARGPPARDCTSSCTSK
SCHEMBL16289140 0.85 PPARA (0.38) PPARAPPARGPPARDCTSSCTSK
SCHEMBL23157230 0.84 PPARA (0.42) 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-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD Chugai Seiyaku Kabushiki Kaisha (JP) 2014-12-17 — — EP disclosed
WO-2013100132-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD 中外製薬株式会社 (JP) 2013-07-04 — — WO disclosed
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