SCHEMBL7270976

SCHEMBL7270976

O=CCC1OC(=O)NC1CC1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.31
MMP9 P14780 3/20 0.31
MMP7 P09237 2/20 0.31
MMP3 P08254 1/20 0.31

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
SCHEMBL8681880 0.87 PRSS1 (0.34) MMP1MMP9MMP7MMP3
SCHEMBL7282942 0.78 MMP1 (0.32) MMP1MMP9MMP7MMP3
SCHEMBL7290039 0.78 MMP1 (0.32) MMP1MMP9MMP7MMP3
SCHEMBL7337078 0.76 CTSD (0.35)
SCHEMBL7292526 0.74 MMP1 (0.31) MMP1MMP9MMP7MMP3
SCHEMBL8908161 0.74 KDM6B (0.32) MMP1MMP9MMP7MMP3
SCHEMBL9417461 0.74 KDM6B (0.32) MMP1MMP9MMP7MMP3
SCHEMBL7270999 0.74 MMP1 (0.31) MMP1MMP9MMP7MMP3
SCHEMBL9222144 0.74 MMP1 (0.31) MMP1MMP9MMP7MMP3
SCHEMBL8908550 0.74 KDM6B (0.32) MMP1MMP9MMP7MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5360791-A Renin-inhibiting aminodiol derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1994-11-01 US disclosed
EP-0370454-B1 Renin-inhibiting amino diol derivatives HOECHST AG (DE) 1994-04-20 EP disclosed
EP-0370454-A2 Renin-inhibiting amino diol derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-30 EP disclosed
US-4837204-A RENIN INHIBITORS; HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1989-06-06 US disclosed
EP-0230266-A2 Functionalized peptidyl aminodiols and -triols ABBOTT LABORATORIES (US) 1987-07-29 EP disclosed
EP-0189203-A2 Peptidylaminodiols ABBOTT LABORATORIES (US) 1986-07-30 EP disclosed