SCHEMBL30002279

SCHEMBL30002279

CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(OCc2ccc(Cl)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
BCL2 P10415 2/20 0.50
PSMB1 P20618 10/20 0.49
PSMB5 P28074 9/20 0.49
PSMB9 P28065 8/20 0.49
PSMB8 P28062 8/20 0.49
PSMB10 P40306 4/20 0.49
PSMB2 P49721 4/20 0.49
CACNA1B Q00975 1/20 0.48
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HDAC1 Q13547 1/20 0.46

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
SCHEMBL22163625 0.91 PSMB1 (0.58) BCL2PSMB1PSMB5PSMB9PSMB8
SCHEMBL30002299 0.90 CTSS (0.54) BCL2PSMB1PSMB5PSMB9PSMB8
SCHEMBL30604544 0.90 CTSS (0.54) BCL2PSMB1PSMB5PSMB9PSMB8
SCHEMBL29152266 0.89 CTSL (0.56) PSMB1PSMB5PSMB9PSMB8PSMB10
SCHEMBL30001953 0.89 CTSL (0.56) PSMB1PSMB5PSMB9PSMB8PSMB10
SCHEMBL30001520 0.83 NPC1 (0.53) NPC1RAB9A
SCHEMBL30002878 0.83 NPC1 (0.53) NPC1RAB9A
SCHEMBL30002718 0.83 CTSS (0.56) PSMB1PSMB5PSMB9PSMB8PSMB10
SCHEMBL30604541 0.83 CTSS (0.56) PSMB1PSMB5PSMB9PSMB8PSMB10
SCHEMBL20111123 0.83 CTSS (0.62) GAACTSSCTSK

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-117677382-A Benzyloxy benzylamino amino acid derivatives that modulate TSLP/TSLPR signaling 阿米蒂比奥有限公司 2024-03-08 CN disclosed
CN-110325509-B Functional derivative compounds of alanine and proline amino acids and pharmaceutical compositions containing the same 阿米蒂比奥有限公司 2024-02-02 CN disclosed
CN-116836083-A Functional derivative compounds of alanine and proline amino acids and pharmaceutical compositions containing the same 阿米蒂比奥有限公司 2023-10-03 CN disclosed
WO-2022255801-A1 BENZYLOXY-BENZYLAMINYL AMINO ACID DERIVATIVE FOR ADJUSTING TSLP/TSLPR SIGNAL TRANSMISSION (주)앰틱스바이오 2022-12-08 WO disclosed