SCHEMBL30002113

SCHEMBL30002113

CCC(NC(=O)OC(C)(C)C)C(=O)NCc1ccc(OCc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.51
FAAH O00519 1/20 0.49
FFAR1 O14842 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
NR4A2 P43354 1/20 0.49
PSMB1 P20618 8/20 0.49
PSMB9 P28065 7/20 0.49
PSMB5 P28074 7/20 0.49
PSMB8 P28062 6/20 0.49
PSMB10 P40306 4/20 0.49
PSMB2 P49721 4/20 0.49
PLG P00747 1/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL30604548 1.00 MAOB (0.51) MAOBFAAHFFAR1FFAR4NR4A2
SCHEMBL30604541 0.89 CTSS (0.56) MAOBPSMB1PSMB9PSMB5PSMB8
SCHEMBL30002718 0.89 CTSS (0.56) MAOBPSMB1PSMB9PSMB5PSMB8
SCHEMBL29152266 0.87 CTSL (0.56) MAOBPSMB1PSMB9PSMB5PSMB8
SCHEMBL30001953 0.87 CTSL (0.56) MAOBPSMB1PSMB9PSMB5PSMB8
SCHEMBL22163625 0.86 PSMB1 (0.58) PSMB1PSMB9PSMB5PSMB8PSMB10
SCHEMBL30002299 0.84 CTSS (0.54) FAAHPSMB1PSMB9PSMB5PSMB8
SCHEMBL30604544 0.84 CTSS (0.54) FAAHPSMB1PSMB9PSMB5PSMB8
SCHEMBL30001945 0.83 SCN9A (0.51) MAOBPSMB1PSMB9PSMB5PSMB8
SCHEMBL30001631 0.82 MME (0.48) MAOBPSMB1PSMB9PSMB5PSMB8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022255801-A1 BENZYLOXY-BENZYLAMINYL AMINO ACID DERIVATIVE FOR ADJUSTING TSLP/TSLPR SIGNAL TRANSMISSION (주)앰틱스바이오 2022-12-08 WO disclosed