SCHEMBL17040117

SCHEMBL17040117

CCC(NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC)C(=O)Nc1ccc(COc2ccc(C#C[Si](C)(C)C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 3/20 0.52
▸ CTSK P43235 4/20 0.49
▸ CTSS P25774 2/20 0.49
▸ LTA4H P09960 1/20 0.48
▸ PTPN1 P18031 1/20 0.48
▸ PTPN6 P29350 1/20 0.48
▸ PTPN11 Q06124 1/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ CTSL P07711 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45

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
SCHEMBL17040115 0.87 HDAC8 (0.55) HDAC8CTSKCTSSLTA4HNPC1
SCHEMBL17040119 0.85 HDAC8 (0.57) HDAC8CTSKCTSSLTA4HNPC1
SCHEMBL17040011 0.83 SIRT2 (0.43) HDAC8CTSKSMN1; SMN2
SCHEMBL15062444 0.81 MEN1 (0.65) CTSKMEN1LMNAKMT2A
SCHEMBL17040116 0.79 MEN1 (0.56) HDAC8CTSKMEN1LMNAKMT2A
SCHEMBL17040118 0.76 SIRT2 (0.55) HDAC8CTSKCTSSCTSLMEN1
SCHEMBL17040013 0.75 SIRT2 (0.55) HDAC8CTSKCTSSCTSLMEN1
SCHEMBL17040012 0.73 SIRT2 (0.45) HDAC8CTSK
SCHEMBL3572357 0.72 MAOB (0.57) PTPN1PTPN6PTPN11RAB9ASMN1; SMN2
SCHEMBL17040010 0.72 MEN1 (0.45) HDAC8CTSKMEN1LMNAKMT2A

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-2015123783-A1 CATHEPSIN B-TARGETING PROBES THUNDER BAY REGIONAL RESEARCH INSTITUTE (CA) 2015-08-27 — — WO disclosed
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