SCHEMBL30002228

SCHEMBL30002228

CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(OCc2cccc(F)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.55
CTSS P25774 1/20 0.55
MAOB P27338 3/20 0.51
MAOA P21397 1/20 0.51
SCN9A Q15858 1/20 0.51
GRM5 P41594 1/20 0.50
PSMB9 P28065 5/20 0.49
PSMB5 P28074 5/20 0.49
PSMB1 P20618 5/20 0.49
PSMB8 P28062 4/20 0.49
PSMB10 P40306 4/20 0.49
PSMB2 P49721 4/20 0.49
PPARA Q07869 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
SCHEMBL30002718 0.93 CTSS (0.56) CTSKCTSSMAOBMAOASCN9A
SCHEMBL30604541 0.93 CTSS (0.56) CTSKCTSSMAOBMAOASCN9A
SCHEMBL991405 0.91 CTSS (0.56) CTSKCTSSMAOBMAOASCN9A
SCHEMBL992283 0.91 CTSS (0.56) CTSKCTSSMAOBMAOASCN9A
SCHEMBL16015277 0.90 CTSS (0.55) CTSKCTSSMAOBMAOASCN9A
SCHEMBL993828 0.90 CTSS (0.55) CTSKCTSSMAOBMAOASCN9A
SCHEMBL993105 0.90 CTSS (0.55) CTSKCTSSMAOBMAOASCN9A
SCHEMBL993430 0.86 GRM5 (0.55) CTSKCTSSMAOBMAOASCN9A
SCHEMBL992642 0.85 GRM5 (0.56) CTSKCTSSMAOBMAOASCN9A
SCHEMBL30001631 0.84 MME (0.48) CTSKCTSSMAOBPSMB9PSMB5

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-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