SCHEMBL7300693

SCHEMBL7300693

CCOC(=O)C=C(CC(=O)O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
NPC1 O15118 3/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
RAB9A P51151 4/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 3/20 0.43
MDM2 Q00987 2/20 0.43
MDM4 O15151 1/20 0.43
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 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
SCHEMBL9581896 0.89 SMN1; SMN2 (0.47) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL9581900 0.89 SMN1; SMN2 (0.47) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL30040031 0.87 MAPT (0.50) MAPTHDAC3HDAC1HDAC2NCOR2
SCHEMBL6524082 0.87 MAPT (0.50) MAPTHDAC3HDAC1HDAC2NCOR2
SCHEMBL6524085 0.87 MAPT (0.50) MAPTHDAC3HDAC1HDAC2NCOR2
SCHEMBL24158280 0.86 MAPT (0.47) MAPTHDAC3HDAC1HDAC2NCOR2
SCHEMBL9262217 0.85 MAPT (0.49) MAPTHDAC3HDAC1HDAC2NCOR2
SCHEMBL9262221 0.85 MAPT (0.49) MAPTHDAC3HDAC1HDAC2NCOR2
SCHEMBL16728116 0.84 MAPT (0.51) MAPTHDAC3HDAC1HDAC2NCOR2
SCHEMBL17881680 0.84 MAPT (0.48) MAPTHDAC3HDAC1HDAC2NCOR2

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 14 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
US-4977277-A INTERMEDIATES FOR RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-12-11 US disclosed
EP-0295294-A4 PEPTIDYLAMINODIOLS. ABBOTT LAB (US) 1990-04-10 EP disclosed
WO-1989010751-A1 FUNCTIONALIZED PEPTIDYL AMINODIOLS AND -TRIOLS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed
EP-0341602-A2 Renin-inhibiting functionalized peptidyl aminodiols and - triols ABBOTT LABORATORIES (US) 1989-11-15 EP disclosed
US-4845079-A HYPOTENSIVE, RENIN INHIBITION ABBOTT LABORATORIES 1989-07-04 US disclosed
US-4837204-A RENIN INHIBITORS; HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1989-06-06 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-0230266-A2 Functionalized peptidyl aminodiols and -triols ABBOTT LABORATORIES (US) 1987-07-29 EP disclosed
EP-0229667-A2 Peptidylaminodiols ABBOTT LABORATORIES (US) 1987-07-22 EP disclosed