SCHEMBL28070805

SCHEMBL28070805

CN(C(=O)OC(C)(C)C)[C@H](Cc1ccc(P(=O)(O)O)c([N+](=O)[O-])c1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.37
ALDH1A1 P00352 2/20 0.34
GRM8 O00222 2/20 0.34
MMP13 P45452 1/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
MAOB P27338 1/20 0.32
SLC7A5 Q01650 1/20 0.32
GRM6 O15303 1/20 0.31

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
SCHEMBL28070806 1.00 GRM4 (0.37) GRM4ALDH1A1GRM8MMP13ITGA4
SCHEMBL28905368 0.86 ALDH1A1 (0.39) GRM4ALDH1A1GRM8MMP13PDCD1
SCHEMBL15414331 0.86 ALDH1A1 (0.39) GRM4ALDH1A1GRM8MMP13PDCD1
SCHEMBL15432849 0.86 ALDH1A1 (0.39) GRM4ALDH1A1GRM8MMP13PDCD1
SCHEMBL15433036 0.85 GRM4 (0.43) GRM4ALDH1A1GRM8MMP13ITGA4
SCHEMBL19278903 0.85 GRM4 (0.43) GRM4ALDH1A1GRM8MMP13ITGA4
SCHEMBL18928692 0.84 ALDH1A1 (0.52) GRM4ALDH1A1GRM8GRM6
SCHEMBL7515946 0.84 ALDH1A1 (0.52) GRM4ALDH1A1GRM8GRM6
SCHEMBL28302644 0.83 AAK1 (0.40) MMP13ITGA4AAK1SLC7A5
SCHEMBL28302645 0.83 AAK1 (0.40) MMP13ITGA4AAK1SLC7A5

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-110279872-A Conjugated body of the cytotoxic molecule with cell bound receptor molecule 杭州多禧生物科技有限公司 2019-09-27 CN disclosed
CN-109912683-A Cytotoxin molecule, conjugate, preparation method and application thereof 杭州多禧生物科技有限公司 2019-06-21 CN disclosed
CN-105641707-A Conjugates of cytotoxic molecules and cell-binding receptor molecules 杭州多禧生物科技有限公司 2016-06-08 CN disclosed