SCHEMBL3812784

SCHEMBL3812784

COC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
CAPN1 P07384 4/20 0.46
CTSB P07858 1/20 0.46
STAT3 P40763 10/20 0.45
XIAP P98170 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ITGB1 P05556 1/20 0.43
ITGA4 P13612 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
SCHEMBL2388728 0.91 POLB (0.46) POLBCAPN1CTSBSTAT3XIAP
SCHEMBL27781840 0.91 POLB (0.46) POLBCAPN1CTSBSTAT3XIAP
SCHEMBL30906745 0.89 XPNPEP1 (0.51) POLBCAPN1CTSBSTAT3KMT2A
SCHEMBL11090289 0.88 KMT2A (0.53) CAPN1CTSBXIAPKMT2A
SCHEMBL3808437 0.87 POLB (0.46) POLBCAPN1CTSBSTAT3XIAP
SCHEMBL3808351 0.86 STAT3 (0.48) CAPN1CTSBSTAT3
SCHEMBL3814324 0.86 POLB (0.48) POLBCAPN1CTSBSTAT3KMT2A
SCHEMBL3817152 0.83 OPRM1 (0.61)
SCHEMBL11661759 0.81 KMT2A (0.64) POLBKMT2ASMN1; SMN2ITGB1ITGA4
SCHEMBL3046422 0.81 KMT2A (0.64) POLBKMT2ASMN1; SMN2ITGB1ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086993-A1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS Zedira GmbH (DE) 2009-08-12 EP claimed
WO-2008055488-A1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS ZEDIRA GMBH (DE) 2008-05-15 WO claimed
EP-2086993-A1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS Zedira GmbH (DE) 2009-08-12 EP disclosed
WO-2008055488-A1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS ZEDIRA GMBH (DE) 2008-05-15 WO disclosed