SCHEMBL20335565

SCHEMBL20335565

CC[C@@H](C)[C@H](NC(=O)C(CCC(N)=O)NC(=O)C(CCC=O)NC(C)=O)C(=O)NC(C(N)=O)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TASP1 Q9H6P5 1/20 0.46
▸ MAGI3 Q5TCQ9 1/20 0.43
▸ CASP1 P29466 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ CASP4 P49662 1/20 0.42
▸ CASP5 P51878 1/20 0.42
▸ CASP9 P55211 1/20 0.42
▸ CASP6 P55212 1/20 0.42
▸ CASP8 Q14790 1/20 0.42
▸ CASP10 Q92851 1/20 0.42
▸ ENPEP Q07075 5/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ GRIN2D O15399 1/20 0.36
▸ GRIN3B O60391 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2A Q12879 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ GRIN2C Q14957 1/20 0.36
▸ GRIN3A Q8TCU5 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
SCHEMBL20342215 1.00 TASP1 (0.46) TASP1MAGI3CASP1CASP3CASP4
SCHEMBL20335561 1.00 TASP1 (0.46) TASP1MAGI3CASP1CASP3CASP4
SCHEMBL20335563 1.00 TASP1 (0.46) TASP1MAGI3CASP1CASP3CASP4
SCHEMBL21516441 0.94 TASP1 (0.45) TASP1MAGI3CASP1CASP3CASP4
SCHEMBL20335576 0.87 TASP1 (0.47) TASP1MAGI3CASP1CASP3CASP4
SCHEMBL20335572 0.87 TASP1 (0.47) TASP1MAGI3CASP1CASP3CASP4
SCHEMBL20335574 0.87 TASP1 (0.47) TASP1MAGI3CASP1CASP3CASP4
SCHEMBL21515972 0.87 TASP1 (0.47) TASP1MAGI3CASP1CASP3CASP4
SCHEMBL20342204 0.87 TASP1 (0.47) TASP1MAGI3CASP1CASP3CASP4
SCHEMBL20342186 0.86 MAGI3 (0.46) TASP1MAGI3CASP1CASP3CASP4

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-3342779-A1 INHIBITORS OF TRANSGLUTAMINASES Zedira GmbH (DE) 2018-07-04 — — EP claimed
EP-3342779-A1 INHIBITORS OF TRANSGLUTAMINASES Zedira GmbH (DE) 2018-07-04 — — EP disclosed
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