SCHEMBL28070807

SCHEMBL28070807

CC(C)(C)OC(=O)N[C@@H](CCc1ccc(P(=O)(O)O)c([N+](=O)[O-])c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.47
PPARG P37231 9/20 0.47
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
ACE P12821 1/20 0.41
GSTP1 P09211 1/20 0.41
GSTM2 P28161 1/20 0.41
PPARD Q03181 2/20 0.40
BCL2 P10415 3/20 0.39
MCL1 Q07820 1/20 0.39
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
PTPN1 P18031 1/20 0.39
GRM4 Q14833 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGAV P06756 1/20 0.38
ITGB5 P18084 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
SCHEMBL28070912 0.90 ACE (0.49) PPARAPPARGCTSSCTSKACE
SCHEMBL28070908 0.90 ACE (0.49) PPARAPPARGCTSSCTSKACE
SCHEMBL28302636 0.83 PPARG (0.37) PPARAPPARGGSTP1GSTM2BCL2
SCHEMBL28070779 0.80 ATM (0.39) PPARAPPARGACEBCL2MCL1
SCHEMBL28070782 0.80 ATM (0.39) PPARAPPARGACEBCL2MCL1
SCHEMBL15414701 0.77 ALDH1A1 (0.52) PPARAPPARGCTSSCTSKACE
SCHEMBL15414703 0.77 ALDH1A1 (0.52) PPARAPPARGCTSSCTSKACE
SCHEMBL28070805 0.75 GRM4 (0.37) PPARAPPARGGRM4
SCHEMBL28070806 0.75 GRM4 (0.37) PPARAPPARGGRM4
SCHEMBL2791359 0.75 ACE (0.53) PPARAPPARGCTSSCTSKACE

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