SCHEMBL26117656

SCHEMBL26117656

CCC(=O)NC(C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)O)C2(C)C)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
ELANE P08246 1/20 0.46
CMA1 P23946 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
CTSF Q9UBX1 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
SCHEMBL26117652 1.00 CTSV (0.46) CTSVCTSLCTSBELANECMA1
SCHEMBL30556789 0.91 CTSV (0.46) CTSVCTSLCTSBELANECMA1
SCHEMBL8247029 0.91 CTSV (0.46) CTSVCTSLCTSBELANECMA1
SCHEMBL25650737 0.89 CTSV (0.46) CTSVCTSLCTSBELANECMA1
SCHEMBL26117082 0.88 CTSV (0.45) CTSVCTSLCTSBELANECMA1
SCHEMBL26117092 0.88 CTSV (0.45) CTSVCTSLCTSBELANECMA1
SCHEMBL26117187 0.88 CTSV (0.43) CTSVCTSLCTSBELANECMA1
SCHEMBL26117192 0.88 CTSV (0.43) CTSVCTSLCTSBELANECMA1
SCHEMBL24425245 0.88 CTSV (0.47) CTSVCTSLCTSBELANECMA1
SCHEMBL27216344 0.86 CTSV (0.46) CTSVCTSLCTSBELANECMA1

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-2023180189-A1 MPRO TARGETING ANTIVIRAL COMPOUNDS EXSCIENTIA AI LIMITED (GB) 2023-09-28 WO disclosed