SCHEMBL28070779

SCHEMBL28070779

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
MME P08473 7/20 0.39
MMEL1 Q495T6 5/20 0.39
ACE P12821 2/20 0.38
APP P05067 3/20 0.37
BCL2 P10415 2/20 0.36
MCL1 Q07820 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL28070782 1.00 ATM (0.39) ATMPPARGPPARAMMEMMEL1
SCHEMBL28302636 0.89 PPARG (0.37) ATMPPARGPPARABCL2MCL1
SCHEMBL18918272 0.87 ALDH1A1 (0.41) ATMPPARGPPARAMMEMMEL1
SCHEMBL19473311 0.87 ALDH1A1 (0.41) ATMPPARGPPARAMMEMMEL1
SCHEMBL18925550 0.87 ALDH1A1 (0.41) ATMPPARGPPARAMMEMMEL1
SCHEMBL28337627 0.87 ATM (0.42) ATMPPARGPPARAMMEMMEL1
SCHEMBL29390410 0.87 ATM (0.42) ATMPPARGPPARAMMEMMEL1
SCHEMBL18918287 0.87 ATM (0.42) ATMPPARGPPARAMMEMMEL1
SCHEMBL18918286 0.87 ATM (0.42) ATMPPARGPPARAMMEMMEL1
SCHEMBL28070908 0.85 ACE (0.49) PPARGPPARAACEBCL2MCL1

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