SCHEMBL28728469

SCHEMBL28728469

CC(C)C(N)C(=O)C(C(=O)O)N(C(=O)OCc1ccccc1)C(=O)C(N)CCCCN

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC15A1 P46059 1/20 0.42
▸ LTA4H P09960 1/20 0.41
▸ EPOR P19235 2/20 0.41
▸ CPB1 P15086 1/20 0.39
▸ CPB2 Q96IY4 1/20 0.39
▸ MMP2 P08253 1/20 0.38
▸ LNPEP Q9UIQ6 2/20 0.37
▸ ERAP2 Q6P179 1/20 0.37
▸ ANPEP P15144 2/20 0.37
▸ ITGB3 P05106 1/20 0.35
▸ ITGA2B P08514 1/20 0.35
▸ DPP8 Q6V1X1 1/20 0.35
▸ DPP7 Q9UHL4 1/20 0.35

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
SCHEMBL28728547 0.85 SLC15A1 (0.48) SLC15A1LTA4H
SCHEMBL5178282 0.76 LTA4H (0.43) LTA4HEPORCPB1CPB2MMP2
SCHEMBL1491987 0.74 EPOR (0.51) LTA4HEPORCPB1CPB2ITGB3
SCHEMBL22804052 0.74 EPOR (0.51) LTA4HEPORCPB1CPB2ITGB3
SCHEMBL3776750 0.74 EPOR (0.51) LTA4HEPORCPB1CPB2ITGB3
SCHEMBL10870187 0.74 MC4R (0.43) SLC15A1LTA4HEPORMMP2ANPEP
SCHEMBL7586833 0.74 MMP2 (0.46) LTA4HCPB2MMP2LNPEPERAP2
SCHEMBL30953186 0.74 ITGB3 (0.42) LTA4HEPORCPB1CPB2MMP2
SCHEMBL29517152 0.73 FOLH1 (0.42) LTA4HEPORCPB1CPB2MMP2
SCHEMBL7275440 0.73 SLC15A1 (0.47) SLC15A1LTA4HANPEP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114409562-B CA4 derivative and ligand-drug conjugate thereof 四川百利药业有限责任公司 2024-08-02 — — CN disclosed
WO-2022166719-A1 CA4 DERIVATIVE AND LIGAND-DRUG CONJUGATE THEREOF 四川百利药业有限责任公司 2022-08-11 — — WO disclosed
CN-114409562-A CA4 derivative and ligand-drug conjugate thereof 四川百利药业有限责任公司 2022-04-29 — — CN disclosed
Send feedback