SCHEMBL7264560

SCHEMBL7264560

CC(C)C=C[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 10/20 0.53
▸ CTSS P25774 2/20 0.53
▸ CTSL P07711 2/20 0.44
▸ CTSB P07858 2/20 0.44
▸ AAK1 Q2M2I8 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ REN P00797 2/20 0.40
▸ EPHX1 P07099 1/20 0.40
▸ CTSH P09668 1/20 0.40
▸ CACNA1B Q00975 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA7 P43166 1/20 0.39

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
SCHEMBL7264559 1.00 CTSK (0.53) CTSKCTSSCTSLCTSBAAK1
SCHEMBL9658424 0.88 CTSK (0.53) CTSKCTSSCTSLCTSBAAK1
SCHEMBL9658422 0.88 CTSK (0.53) CTSKCTSSCTSLCTSBAAK1
SCHEMBL9104062 0.88 CTSK (0.55) CTSKCTSSCTSLCTSBAAK1
SCHEMBL9104071 0.88 CTSK (0.55) CTSKCTSSCTSLCTSBAAK1
SCHEMBL7264536 0.87 CTSK (0.49) CTSKCTSSCTSLCTSBAAK1
SCHEMBL7264538 0.87 CTSK (0.49) CTSKCTSSCTSLCTSBAAK1
SCHEMBL9556578 0.87 CTSK (0.49) CTSKCTSSCTSLCTSBAAK1
SCHEMBL7331001 0.87 CTSK (0.51) CTSKCTSSCTSLCTSBAAK1
SCHEMBL8021180 0.87 CTSK (0.51) CTSKCTSSCTSLCTSBAAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0229667-B1 Peptidylaminodiols ABBOTT LAB (US) 1994-07-13 — — EP disclosed
US-5214129-A Amidation of a protected amino acid by an di-O-protected dihydroxy-containing amine and coupling with a carboxylic acid; deprotecting; renin inhibitors; hypotensive agents ABBOTT LABORATORIES (US) 1993-05-25 — — US disclosed
US-5091575-A Renin inhibitor ABBOTT LABORATORIES (US) 1992-02-25 — — US disclosed
US-5032577-A Hypotensive ABBOTT LABORATORIES (US) 1991-07-16 — — US disclosed
EP-0295294-A4 PEPTIDYLAMINODIOLS. ABBOTT LAB (US) 1990-04-10 — — EP disclosed
US-4845079-A HYPOTENSIVE, RENIN INHIBITION ABBOTT LABORATORIES 1989-07-04 — — US disclosed
EP-0295294-A1 PEPTIDYLAMINODIOLS ABBOTT LABORATORIES (US) 1988-12-21 — — EP disclosed
WO-1988005050-A1 PEPTIDYLAMINODIOLS ABBOTT LABORATORIES (US) 1988-07-14 — — WO disclosed
EP-0229667-A2 Peptidylaminodiols ABBOTT LABORATORIES (US) 1987-07-22 — — EP disclosed
EP-0189203-A2 Peptidylaminodiols ABBOTT LABORATORIES (US) 1986-07-30 — — EP disclosed
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