SCHEMBL9696051

SCHEMBL9696051

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

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 10/20 0.48
▸ NAALAD2 Q9Y3Q0 2/20 0.47
▸ RIMKLA Q8IXN7 1/20 0.47
▸ KMT2A Q03164 1/20 0.45
▸ CTSS P25774 3/20 0.43
▸ CTSK P43235 3/20 0.43
▸ CTSL P07711 1/20 0.43
▸ CTSB P07858 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
SCHEMBL10976677 1.00 FOLH1 (0.48) FOLH1NAALAD2RIMKLAKMT2ACTSS
SCHEMBL18953127 0.89 KMT2A (0.43) KMT2ACTSSCTSKCTSLCTSB
SCHEMBL28501209 0.89 REN (0.47) FOLH1KMT2ACTSSCTSKCTSL
SCHEMBL18953129 0.89 KMT2A (0.43) KMT2ACTSSCTSKCTSLCTSB
SCHEMBL9224622 0.89 KMT2A (0.43) KMT2ACTSSCTSKCTSLCTSB
SCHEMBL10788830 0.89 REN (0.47) FOLH1KMT2ACTSSCTSKCTSL
SCHEMBL28501207 0.89 REN (0.47) FOLH1KMT2ACTSSCTSKCTSL
SCHEMBL8215506 0.88 CTSS (0.51) FOLH1NAALAD2RIMKLACTSSCTSK
SCHEMBL1318658 0.88 FOLH1 (0.56) FOLH1NAALAD2RIMKLACTSSCTSK
SCHEMBL2769978 0.88 FOLH1 (0.56) FOLH1NAALAD2RIMKLACTSSCTSK

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
CN-119751556-A Epithalon vitamin B6 coupled derivative and preparation method and application thereof 润辉生物技术(威海)有限公司 2025-04-04 — — CN disclosed
EP-0466944-A1 4H-3,1-BENZOXAZIN-4-ONE COMPOUND AND ELASTASE INHIBITOR COMPOSITION CONTAINING THE SAME TEIJIN LIMITED (JP) 1992-01-22 — — EP disclosed
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