SCHEMBL28692986

SCHEMBL28692986

CC(=O)N(C)c1cccc(CC(NC(=O)OC(C)(C)C)C(=O)Nc2ccc3[nH]c(C(=O)O)cc3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F11 P03951 10/20 0.45
CTSS P25774 6/20 0.43
CTSK P43235 5/20 0.43
CTSB P07858 4/20 0.43
HDAC8 Q9BY41 1/20 0.42
CTSL P07711 2/20 0.42
PYGL P06737 2/20 0.41

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
SCHEMBL28692985 1.00 F11 (0.45) F11CTSSCTSKCTSBHDAC8
SCHEMBL28672496 0.94 CTSS (0.41) F11CTSSCTSKCTSBHDAC8
SCHEMBL28672494 0.94 CTSS (0.41) F11CTSSCTSKCTSBHDAC8
SCHEMBL28687066 0.92 F11 (0.44) F11CTSSCTSKCTSBHDAC8
SCHEMBL28687069 0.92 F11 (0.44) F11CTSSCTSKCTSBHDAC8
SCHEMBL28974587 0.88 HDAC8 (0.54) F11CTSSCTSKCTSBHDAC8
SCHEMBL28974589 0.88 HDAC8 (0.54) F11CTSSCTSKCTSBHDAC8
SCHEMBL28673211 0.86 CTSS (0.42) CTSSCTSKCTSBHDAC8CTSL
SCHEMBL28673203 0.86 CTSS (0.42) CTSSCTSKCTSBHDAC8CTSL
SCHEMBL28679371 0.85 CTSS (0.40) F11CTSSCTSKCTSBHDAC8

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-113943259-A Amino acid derivative, preparation method and application thereof 西安禾渼生物医药有限公司 2022-01-18 CN disclosed