SCHEMBL30002035

SCHEMBL30002035

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.50
TPSAB1 Q15661 2/20 0.49
PLG P00747 1/20 0.49
PRSS1 P07477 1/20 0.49
PSMB1 P20618 7/20 0.49
PSMB5 P28074 6/20 0.49
PSMB9 P28065 5/20 0.49
PSMB8 P28062 5/20 0.49
PSMB10 P40306 2/20 0.49
PSMB2 P49721 2/20 0.49
HDAC1 Q13547 1/20 0.48
MME P08473 1/20 0.48
ACE P12821 1/20 0.48
CPA1 P15085 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
PPARA Q07869 1/20 0.45
ADAMTS4 O75173 1/20 0.45
MMP13 P45452 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
SCHEMBL30001631 0.86 MME (0.48) MAOBPSMB1PSMB5PSMB9PSMB8
SCHEMBL4451793 0.78 MAOB (0.56) MAOBHDAC1
SCHEMBL3499574 0.78 MME (0.54) MAOBMMEACECPA1ACE2
SCHEMBL3499571 0.78 MME (0.54) MAOBMMEACECPA1ACE2
SCHEMBL15382444 0.77 TPSAB1 (0.53) TPSAB1PLGPRSS1
SCHEMBL7654094 0.77 TPSAB1 (0.56) TPSAB1PLGPRSS1
SCHEMBL7654104 0.77 TPSAB1 (0.56) TPSAB1PLGPRSS1
SCHEMBL30604544 0.77 CTSS (0.54) PSMB1PSMB5PSMB9PSMB8PSMB10
SCHEMBL992316 0.77 CTSS (0.54) PSMB1PSMB5PSMB9PSMB8PSMB10
SCHEMBL30002299 0.77 CTSS (0.54) PSMB1PSMB5PSMB9PSMB8PSMB10

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