SCHEMBL7440374

SCHEMBL7440374

CC(C)(C)OC(=O)NC(CC1CCCCC1)C(O)CCCC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.50
CTSK P43235 2/20 0.50
REN P00797 16/20 0.46
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CTSD P07339 1/20 0.43
CTSE P14091 1/20 0.43

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
SCHEMBL7430523 0.92 CTSS (0.52) CTSSCTSKRENHDAC4HDAC1
SCHEMBL9833907 0.89 CTSS (0.51) CTSSCTSKRENHDAC4HDAC1
SCHEMBL7284721 0.88 CTSS (0.55) CTSSCTSKRENCTSDCTSE
SCHEMBL7437469 0.88 CTSS (0.50) CTSSCTSKRENHDAC4HDAC1
SCHEMBL7274022 0.88 CTSS (0.50) CTSSCTSKRENCTSDCTSE
SCHEMBL9358862 0.88 CTSS (0.50) CTSSCTSKRENCTSDCTSE
SCHEMBL7274017 0.88 CTSS (0.50) CTSSCTSKRENCTSDCTSE
SCHEMBL7272375 0.86 CTSS (0.53) CTSSCTSKRENHDAC4HDAC1
SCHEMBL3606570 0.86 CTSS (0.53) CTSSCTSKRENCTSDCTSE
SCHEMBL8225301 0.86 CTSS (0.53) CTSSCTSKRENHDAC4HDAC1

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