SCHEMBL31265396

SCHEMBL31265396

NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 2/20 0.40
▸ SLC15A2 Q16348 1/20 0.40
▸ RECQL P46063 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ECE1 P42892 1/20 0.36
▸ CA2 P00918 1/20 0.34
▸ CA4 P22748 1/20 0.34
▸ ENPEP Q07075 3/20 0.34
▸ ITGB3 P05106 2/20 0.34
▸ ITGA2B P08514 2/20 0.34
▸ CASP3 P42574 2/20 0.33
▸ CCKBR P32239 1/20 0.33
▸ PRSS1 P07477 2/20 0.33
▸ TMPRSS15 P98073 2/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ PTPN1 P18031 1/20 0.33

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
SCHEMBL28382211 0.93 SLC15A2 (0.43) MMESLC15A2ITGB3ITGA2B
SCHEMBL31265388 0.90 SLC15A2 (0.44) MMESLC15A2ECE1
SCHEMBL29870996 0.90 SLC15A2 (0.44) MMESLC15A2ECE1
Carnosine SCHEMBL33768 0.88 ITGB3 (0.41) SLC15A2ITGB3ITGA2B
Carnosine SCHEMBL33769 0.88 ITGB3 (0.41) SLC15A2ITGB3ITGA2B
Carnosine SCHEMBL1161010 0.88 ITGB3 (0.41) SLC15A2ITGB3ITGA2B
Carnosine SCHEMBL3904964 0.88 ITGB3 (0.41) SLC15A2ITGB3ITGA2B
Carnosine SCHEMBL11033195 0.87 ITGB3 (0.40) SLC15A2ITGB3ITGA2B
Carnosine SCHEMBL308693 0.87 ITGB3 (0.40) SLC15A2ITGB3ITGA2B
Carnosine SCHEMBL134705 0.87 ITGB3 (0.40) SLC15A2ITGB3ITGA2B

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-114945579-B Heme derivative and preparation method and application thereof 吉林省澳宇生物科技有限公司 2025-01-21 — — CN disclosed
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