SCHEMBL31091273

SCHEMBL31091273

CCNC(=O)CC[C@H](NCC)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 6/20 0.49
▸ MMP9 P14780 6/20 0.49
▸ NOD1 Q9Y239 3/20 0.45
▸ FOLH1 Q04609 5/20 0.44
▸ NAALAD2 Q9Y3Q0 2/20 0.44
▸ RIMKLA Q8IXN7 1/20 0.44
▸ FAAH O00519 1/20 0.44
▸ MMP8 P22894 4/20 0.40
▸ MMP12 P39900 4/20 0.40
▸ MMP14 P50281 4/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ GGH Q92820 1/20 0.38

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
SCHEMBL8517971 1.00 MMP2 (0.49) MMP2MMP9NOD1FOLH1NAALAD2
SCHEMBL24164953 0.89 MMP2 (0.47) MMP2MMP9NOD1FOLH1NAALAD2
SCHEMBL19895223 0.85 MMP2 (0.45) MMP2MMP9NOD1FOLH1NAALAD2
SCHEMBL29159697 0.85 MMP2 (0.45) MMP2MMP9NOD1FAAHMMP8
SCHEMBL24393827 0.85 MMP2 (0.39) MMP2MMP9NOD1FOLH1NAALAD2
Theanine SCHEMBL23068689 0.84 ALOX15 (0.54) MMP2MMP9NOD1FOLH1
SCHEMBL19895221 0.84 NOD1 (0.59) MMP2MMP9NOD1FAAHMMP8
SCHEMBL31241202 0.84 NOD1 (0.59) MMP2MMP9NOD1FAAHMMP8
SCHEMBL911011 0.83 FOLH1 (0.63) FOLH1NAALAD2RIMKLAGGH
SCHEMBL73336 0.83 FOLH1 (0.63) FOLH1NAALAD2RIMKLAGGH

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-118416012-A Lenvatinib mesylate capsule and preparation method thereof 山东第一医科大学附属肿瘤医院(山东省肿瘤防治研究院、山东省肿瘤医院) 2024-08-02 — — CN disclosed
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