SCHEMBL28337609

SCHEMBL28337609

CC(=O)Oc1ccc(C[C@@H](CC(C)C(=O)O)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
ATM Q13315 1/20 0.39
MME P08473 4/20 0.39
MMEL1 Q495T6 2/20 0.39
ACE P12821 2/20 0.38
AAK1 Q2M2I8 3/20 0.38
APP P05067 2/20 0.37
BCL2 P10415 1/20 0.36
MCL1 Q07820 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
SCHEMBL28337611 1.00 ALDH1A1 (0.42) ALDH1A1PPARGPPARAATMMME
SCHEMBL20529532 0.93 ALDH1A1 (0.45) ALDH1A1PPARGPPARAATMAAK1
SCHEMBL20529531 0.93 ALDH1A1 (0.45) ALDH1A1PPARGPPARAATMAAK1
SCHEMBL20529533 0.93 ALDH1A1 (0.45) ALDH1A1PPARGPPARAATMAAK1
SCHEMBL28509153 0.90 ALDH1A1 (0.42) ALDH1A1PPARGPPARAATMMME
SCHEMBL18918272 0.87 ALDH1A1 (0.41) ALDH1A1PPARGPPARAATMMME
SCHEMBL18925550 0.87 ALDH1A1 (0.41) ALDH1A1PPARGPPARAATMMME
SCHEMBL19473311 0.87 ALDH1A1 (0.41) ALDH1A1PPARGPPARAATMMME
SCHEMBL28337627 0.87 ATM (0.42) ALDH1A1PPARGPPARAATMMME
SCHEMBL29390410 0.87 ATM (0.42) ALDH1A1PPARGPPARAATMMME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116143678-A Conjugate linker, cell-binding molecule-drug conjugate containing the same, and preparation and application thereof 杭州多禧生物科技有限公司 2023-05-23 CN disclosed
CN-110099682-B Coupled connector, cell binding molecule-drug conjugate containing same, and preparation and application thereof 杭州多禧生物科技有限公司 2023-03-31 CN disclosed
CN-113195487-A 2, 3-diaminosuccinyl conjugate linkers 杭州多禧生物科技有限公司 2021-07-30 CN disclosed
CN-110621673-A Double-stranded linked cytotoxic drug conjugates 杭州多禧生物科技有限公司 2019-12-27 CN disclosed