SCHEMBL30002299

SCHEMBL30002299

CCC(NC(=O)OC(C)(C)C)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.54
CTSK P43235 3/20 0.54
PSMB1 P20618 10/20 0.49
PSMB5 P28074 10/20 0.49
PSMB9 P28065 9/20 0.49
PSMB8 P28062 9/20 0.49
PSMB10 P40306 4/20 0.49
PSMB2 P49721 4/20 0.49
BCL2 P10415 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
FAAH O00519 1/20 0.47
HDAC1 Q13547 1/20 0.46
POLB P06746 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
SCHEMBL30604544 1.00 CTSS (0.54) CTSSCTSKPSMB1PSMB5PSMB9
SCHEMBL992316 0.92 CTSS (0.54) CTSSCTSKPSMB1PSMB5PSMB9
SCHEMBL992821 0.91 CTSS (0.53) CTSSCTSKPSMB1PSMB5PSMB9
SCHEMBL22163625 0.91 PSMB1 (0.58) CTSSCTSKPSMB1PSMB5PSMB9
SCHEMBL30002279 0.90 GAA (0.52) CTSSCTSKPSMB1PSMB5PSMB9
SCHEMBL30002718 0.89 CTSS (0.56) CTSSCTSKPSMB1PSMB5PSMB9
SCHEMBL30604541 0.89 CTSS (0.56) CTSSCTSKPSMB1PSMB5PSMB9
SCHEMBL30002287 0.86 PTPN1 (0.61) CTSSCTSKPSMB1PSMB5PSMB9
SCHEMBL30604548 0.84 MAOB (0.51) PSMB1PSMB5PSMB9PSMB8PSMB10
SCHEMBL30002113 0.84 MAOB (0.51) 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