SCHEMBL29052292

SCHEMBL29052292

CC(C)(C)OC(=O)NC(Cc1ccc(OC(=O)OC(C)(C)C)cc1)C(=O)NCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.53
CTSK P43235 8/20 0.53
CTSB P07858 2/20 0.50
CTSL P07711 1/20 0.50
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
HTRA1 Q92743 1/20 0.46
HDAC8 Q9BY41 1/20 0.45
AKT1 P31749 1/20 0.45
PSMB1 P20618 4/20 0.45
PSMB9 P28065 3/20 0.45
PSMB5 P28074 3/20 0.45
PSMB10 P40306 3/20 0.45
PSMB2 P49721 3/20 0.45
PSMB8 P28062 2/20 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
SCHEMBL24521579 1.00 CTSS (0.53) CTSSCTSKCTSBCTSLPPARG
SCHEMBL24521561 0.90 CTSS (0.51) CTSSCTSKCTSBCTSLHTRA1
SCHEMBL29052272 0.90 CTSS (0.51) CTSSCTSKCTSBCTSLHTRA1
SCHEMBL24521571 0.88 CTSS (0.66) CTSSCTSKCTSBCTSLPPARG
SCHEMBL29052278 0.88 CTSS (0.66) CTSSCTSKCTSBCTSLPPARG
SCHEMBL24521600 0.85 SCN9A (0.53) CTSSCTSKCTSBCTSLHDAC8
SCHEMBL29052629 0.85 SCN9A (0.53) CTSSCTSKCTSBCTSLHDAC8
SCHEMBL14343235 0.79 ITGB3 (0.65) CTSSCTSKCTSBCTSLPPARG
SCHEMBL1087185 0.79 ITGB3 (0.65) CTSSCTSKCTSBCTSLPPARG
SCHEMBL16909032 0.79 ITGB3 (0.65) CTSSCTSKCTSBCTSLPPARG

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
CN-116583497-A N-benzyl-alpha-aminoamides as late promoting complex/loop (APC/C) inhibitors 科学研究高级委员会(CSIC) 2023-08-11 CN disclosed