SCHEMBL30002287

SCHEMBL30002287

CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(OCc2ccccc2F)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.61
CTSK P43235 4/20 0.54
CTSS P25774 3/20 0.54
SCN9A Q15858 2/20 0.52
SCN3A Q9NY46 1/20 0.49
PSMB1 P20618 9/20 0.47
PSMB9 P28065 8/20 0.47
PSMB5 P28074 8/20 0.47
PSMB8 P28062 7/20 0.47
PSMB10 P40306 4/20 0.47
PSMB2 P49721 4/20 0.47
BCL2 P10415 1/20 0.46
HDAC1 Q13547 1/20 0.46
SCN10A Q9Y5Y9 1/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL992722 0.92 PTPN1 (0.61) PTPN1CTSKCTSSSCN9ASCN3A
SCHEMBL993159 0.91 PTPN1 (0.61) PTPN1CTSKCTSSSCN9ASCN3A
SCHEMBL30001945 0.89 SCN9A (0.51) PTPN1SCN9APSMB1PSMB9PSMB5
SCHEMBL30604547 0.89 SCN9A (0.51) PTPN1SCN9APSMB1PSMB9PSMB5
SCHEMBL22163625 0.87 PSMB1 (0.58) PTPN1CTSKCTSSPSMB1PSMB9
SCHEMBL30002299 0.86 CTSS (0.54) CTSKCTSSPSMB1PSMB9PSMB5
SCHEMBL30604544 0.86 CTSS (0.54) CTSKCTSSPSMB1PSMB9PSMB5
SCHEMBL30604541 0.84 CTSS (0.56) CTSKCTSSSCN9APSMB1PSMB9
SCHEMBL30002718 0.84 CTSS (0.56) CTSKCTSSSCN9APSMB1PSMB9
SCHEMBL30002279 0.82 GAA (0.52) CTSKCTSSPSMB1PSMB9PSMB5

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