SCHEMBL28979552

SCHEMBL28979552

COC(=O)C(CC1CCCCC1)NC(=O)c1ccc2ccccc2c1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.66
CTSL P07711 5/20 0.66
CTSK P43235 3/20 0.66
METAP2 P50579 1/20 0.55
METAP1 P53582 1/20 0.55
HTRA1 Q92743 12/20 0.54
CTSB P07858 1/20 0.51

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
SCHEMBL17859965 1.00 CTSS (0.66) CTSSCTSLCTSKMETAP2METAP1
SCHEMBL29397792 1.00 CTSS (0.66) CTSSCTSLCTSKMETAP2METAP1
SCHEMBL17843401 0.87 GRN (0.62) CTSSCTSLCTSKMETAP2METAP1
SCHEMBL17843413 0.87 GRN (0.62) CTSSCTSLCTSKMETAP2METAP1
SCHEMBL30334963 0.87 GRN (0.62) CTSSCTSLCTSKMETAP2METAP1
SCHEMBL24249641 0.85 CTSL (0.51) CTSSCTSLCTSKMETAP2METAP1
SCHEMBL28979538 0.82 CTSS (0.52) CTSSCTSLCTSKMETAP2METAP1
SCHEMBL5525446 0.82 CTSS (0.78) CTSSCTSLCTSKMETAP2METAP1
SCHEMBL21536106 0.81 HTRA1 (0.58) CTSSCTSLCTSKHTRA1
SCHEMBL28979527 0.81 HTRA1 (0.58) CTSSCTSLCTSKHTRA1

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-109563033-B Aliphatic prolinamide derivatives 奥瑞恩眼科有限责任公司 2023-04-04 CN disclosed