SCHEMBL30695068

SCHEMBL30695068

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 4/20 0.47
▸ BACE1 P56817 11/20 0.46
▸ CTSD P07339 4/20 0.46
▸ NOD1 Q9Y239 1/20 0.43
▸ ECE1 P42892 1/20 0.43
▸ GLO1 Q04760 1/20 0.42
▸ PTGS1 P23219 1/20 0.41
▸ GSTK1 Q9Y2Q3 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ OPRK1 P41145 1/20 0.41

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
SCHEMBL29669822 0.93 BACE1 (0.43) BACE1CTSDNOD1ECE1GLO1
SCHEMBL29669901 0.93 FOLH1 (0.47) FOLH1BACE1CTSDNOD1GLO1
SCHEMBL30901841 0.93 PTPN1 (0.46) FOLH1BACE1CTSDOPRM1OPRD1
SCHEMBL30901840 0.91 BACE1 (0.47) FOLH1BACE1CTSDOPRM1OPRD1
SCHEMBL30193320 0.89 FOLH1 (0.55) FOLH1NOD1GLO1PTGS1GSTK1
SCHEMBL31124670 0.88 BACE1 (0.53) BACE1CTSDOPRM1OPRD1
SCHEMBL31194150 0.88 FOLH1 (0.49) FOLH1BACE1NOD1GLO1PTGS1
SCHEMBL30483773 0.87 FOLH1 (0.50) FOLH1BACE1GLO1PTGS1GSTK1
SCHEMBL31427601 0.87 OPRD1 (0.47) FOLH1BACE1CTSDNOD1OPRM1
SCHEMBL29485627 0.87 FOLH1 (0.48) FOLH1BACE1CTSDECE1

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
CN-114364691-B Peptides as inhibitors of fibrotic matrix accumulation 马克斯·普朗克科学促进学会 2023-12-12 — — CN disclosed
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