SCHEMBL28978080

SCHEMBL28978080

CCOC(=O)C(C)C[C@H](Cc1ccc(O)c(N)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
ALDH1A1 P00352 4/20 0.39
GAA P10253 2/20 0.39
GFER P55789 1/20 0.39
AAK1 Q2M2I8 4/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
SYK P43405 1/20 0.36
CA2 P00918 2/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
KLK5 Q9Y337 1/20 0.36
APP P05067 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
SCHEMBL28978082 1.00 ATM (0.40) ATMALDH1A1GAAGFERAAK1
SCHEMBL29856186 1.00 ATM (0.40) ATMALDH1A1GAAGFERAAK1
SCHEMBL28310907 1.00 ATM (0.40) ATMALDH1A1GAAGFERAAK1
SCHEMBL20529471 0.93 ATM (0.42) ATMALDH1A1GAAGFERAAK1
SCHEMBL20529408 0.93 ATM (0.42) ATMALDH1A1GAAGFERAAK1
SCHEMBL29467732 0.93 ATM (0.42) ATMALDH1A1GAAGFERAAK1
SCHEMBL20529409 0.93 ATM (0.42) ATMALDH1A1GAAGFERAAK1
SCHEMBL29467655 0.93 ATM (0.42) ATMALDH1A1GAAGFERAAK1
SCHEMBL24117993 0.92 ALDH1A1 (0.43) ATMALDH1A1GAAGFERAAK1
SCHEMBL28310908 0.90 ATM (0.38) ATMALDH1A1GAAGFERAAK1

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 2 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