SCHEMBL7280316

SCHEMBL7280316

CC(C)(C)OC(=O)C(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.51
SLC1A2 P43004 1/20 0.51
SLC1A1 P43005 1/20 0.51
ITGA4 P13612 2/20 0.49
ITGB7 P26010 2/20 0.49
ATM Q13315 1/20 0.47
ACE P12821 1/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CTSS P25774 2/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSK P43235 1/20 0.45
SLC7A5 Q01650 2/20 0.45
SRR Q9GZT4 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALPI P09923 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
SCHEMBL15015724 1.00 SLC1A3 (0.51) SLC1A3SLC1A2SLC1A1ITGA4ITGB7
SCHEMBL6940090 0.90 ACE (0.47) SLC1A3SLC1A2SLC1A1ITGA4ITGB7
SCHEMBL27471453 0.90 ACE (0.47) SLC1A3SLC1A2SLC1A1ITGA4ITGB7
SCHEMBL7376208 0.89 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1ITGA4ITGB7
SCHEMBL7376206 0.89 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1ITGA4ITGB7
SCHEMBL12268042 0.88 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1ITGA4ITGB7
SCHEMBL20805059 0.87 ITGA4 (0.49) SLC1A3SLC1A2SLC1A1ITGA4ITGB7
SCHEMBL17242191 0.86 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1ITGA4ITGB7
SCHEMBL17242269 0.86 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1ITGA4ITGB7
SCHEMBL15268441 0.86 SLC1A1 (0.64) SLC1A3SLC1A2SLC1A1ITGA4ITGB7

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
US-5346887-A Mixture of tripeptide renin inhibitor and steroid antiinflammatory agent ABBOTT LABORATORIES (US) 1994-09-13 US disclosed
US-5164388-A Hypotensive agents, treatment of congestive heart failure ABBOTT LABORATORIES (US) 1992-11-17 US disclosed
US-5059589-A Glaucoma treatment ABBOTT LABORATORIES (US) 1991-10-22 US disclosed
EP-0439556-A1 HETEROCYCLIC PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1991-08-07 EP disclosed
US-5036051-A Renin inhibitors ABBOTT LABORATORIES (US) 1991-07-30 US disclosed
EP-0416393-A1 Peptidyl difluorodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed
US-4927807-A RENIN INHIBITING AMIDES ABBOTT LABORATORIES (US) 1990-05-22 US disclosed
WO-1990004917-A1 HETEROCYCLIC PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-05-17 WO disclosed
EP-0365992-A1 Heterocyclic peptide renin inhibitors ABBOTT LABORATORIES (US) 1990-05-02 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-4857507-A HYPOTENSIVE AGENT ABBOTT LABORATORIES (US) 1989-08-15 US disclosed
EP-0311012-A2 Glaucoma treatment ABBOTT LABORATORIES (US) 1989-04-12 EP disclosed
EP-0307837-A2 Renin-inhibiting peptidyl heterocycles ABBOTT LABORATORIES (US) 1989-03-22 EP disclosed