SCHEMBL28455496

SCHEMBL28455496

C[C@@H](COc1cccc(N)c1C#N)NC(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.48
CTSL P07711 14/20 0.48
CTSB P07858 9/20 0.48
CTSK P43235 8/20 0.48
TACR1 P25103 1/20 0.43
ATM Q13315 1/20 0.42

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
SCHEMBL31670293 1.00 CTSS (0.48) CTSSCTSLCTSBCTSKTACR1
SCHEMBL28460837 1.00 CTSS (0.48) CTSSCTSLCTSBCTSKTACR1
SCHEMBL28454782 1.00 CTSS (0.48) CTSSCTSLCTSBCTSKTACR1
SCHEMBL31670282 1.00 CTSS (0.48) CTSSCTSLCTSBCTSKTACR1
SCHEMBL31670289 0.90 CTSS (0.48) CTSSCTSLCTSBCTSKTACR1
SCHEMBL28460924 0.90 CTSS (0.48) CTSSCTSLCTSBCTSKTACR1
SCHEMBL28460926 0.90 CTSS (0.48) CTSSCTSLCTSBCTSKTACR1
SCHEMBL28457032 0.88 SYK (0.47) CTSSCTSLCTSBCTSKTACR1
SCHEMBL31670276 0.88 SYK (0.47) CTSSCTSLCTSBCTSKTACR1
SCHEMBL620379 0.84 MTNR1A (0.41)

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-106107406-B Methods of improving the stability of sweetness enhancers and compositions comprising stable sweetness enhancers 弗门尼舍公司 2020-06-09 CN disclosed