SCHEMBL7430523

SCHEMBL7430523

CC(C)(C)OC(=O)NC(CC1CCCCC1)C(O)CCC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.52
CTSK P43235 2/20 0.52
REN P00797 16/20 0.47
CTSD P07339 1/20 0.44
CTSE P14091 1/20 0.44
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 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
SCHEMBL7440374 0.92 CTSS (0.50) CTSSCTSKRENCTSDCTSE
SCHEMBL9833907 0.91 CTSS (0.51) CTSSCTSKRENCTSDCTSE
SCHEMBL7284721 0.91 CTSS (0.55) CTSSCTSKRENCTSDCTSE
SCHEMBL9358862 0.90 CTSS (0.50) CTSSCTSKRENCTSDCTSE
SCHEMBL7274017 0.90 CTSS (0.50) CTSSCTSKRENCTSDCTSE
SCHEMBL7437469 0.90 CTSS (0.50) CTSSCTSKRENCTSDCTSE
SCHEMBL7274022 0.90 CTSS (0.50) CTSSCTSKRENCTSDCTSE
SCHEMBL7272375 0.88 CTSS (0.53) CTSSCTSKRENCTSDCTSE
SCHEMBL8225301 0.88 CTSS (0.53) CTSSCTSKRENCTSDCTSE
SCHEMBL13306504 0.88 CTSS (0.53) CTSSCTSKRENCTSDCTSE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4826815-A HYPOTENSIVE ABBOTT LABORATORIES (US) 1989-05-02 US disclosed
US-4652551-A PEPTIDE, HYPOTENSIVE ABBOTT LABORATORIES (US) 1987-03-24 US disclosed