SCHEMBL14479055

SCHEMBL14479055

COC(=O)CCC(CC(=O)C(C)(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 6/20 0.51
▸ CTSS P25774 3/20 0.49
▸ CTSK P43235 3/20 0.49
▸ PSMB5 P28074 2/20 0.47
▸ GPR139 Q6DWJ6 1/20 0.46
▸ CTSG P08311 1/20 0.45
▸ CTRB1 P17538 1/20 0.45
▸ CTSB P07858 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ACE P12821 2/20 0.43
▸ KLKB1 P03952 1/20 0.43

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
SCHEMBL14479041 0.89 CTSL (0.52) CTSLCTSSCTSKPSMB5GPR139
SCHEMBL14479042 0.82 PRSS1 (0.54) CTSLCTSSCTSKPSMB5GPR139
SCHEMBL14479056 0.82 CTSL (0.56) CTSLCTSSCTSKPSMB5GPR139
SCHEMBL13673291 0.81 CTSL (0.58) CTSLCTSSCTSKPSMB5GPR139
SCHEMBL13673427 0.77 CTSL (0.60) CTSLCTSSCTSKPSMB5GPR139
SCHEMBL11276525 0.75 ACE (0.68) CTSLCTSSCTSKGAARAB9A
SCHEMBL13669573 0.74 GAA (0.69) CTSLCTSSCTSKPSMB5GPR139
SCHEMBL4369272 0.74 GAA (0.69) CTSLCTSSCTSKPSMB5GPR139
SCHEMBL16667786 0.74 GAA (0.62) CTSLCTSSCTSKPSMB5GAA
SCHEMBL13673425 0.73 GAA (0.65) CTSLCTSSCTSKGAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013001120-A1 CHEMICAL PROCESS FOR THE SELECTIVE MODIFICATION OF PEPTIDES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2013-01-03 — — WO disclosed
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