SCHEMBL9417461

SCHEMBL9417461

O=C1NC(CC2CCCCC2)C(C(=O)O)O1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 1/20 0.32
KDM4A O75164 1/20 0.32
KDM4D Q6B0I6 1/20 0.32
KDM3B Q7LBC6 1/20 0.32
HIF1AN Q9NWT6 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
CTSD P07339 1/20 0.32
MMP1 P03956 4/20 0.31
MMP9 P14780 3/20 0.31
MMP7 P09237 2/20 0.31
MMP3 P08254 1/20 0.31
REN P00797 1/20 0.30
DAO P14920 2/20 0.30
IDE P14735 1/20 0.30

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
SCHEMBL8908161 1.00 KDM6B (0.32) KDM6BKDM4AKDM4DKDM3BHIF1AN
SCHEMBL8908550 1.00 KDM6B (0.32) KDM6BKDM4AKDM4DKDM3BHIF1AN
SCHEMBL7297711 0.79 CTSD (0.34) CTSD
SCHEMBL7290274 0.79 CTSD (0.34) CTSD
SCHEMBL7282942 0.76 MMP1 (0.32) CTSDMMP1MMP9MMP7MMP3
SCHEMBL7290039 0.76 MMP1 (0.32) CTSDMMP1MMP9MMP7MMP3
SCHEMBL9222144 0.75 MMP1 (0.31) MMP1MMP9MMP7MMP3DAO
SCHEMBL7270999 0.75 MMP1 (0.31) MMP1MMP9MMP7MMP3DAO
SCHEMBL7292526 0.75 MMP1 (0.31) MMP1MMP9MMP7MMP3DAO
SCHEMBL7271002 0.75 MMP1 (0.31) MMP1MMP9MMP7MMP3DAO

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 8 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-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