SCHEMBL7280321

SCHEMBL7280321

CC(C)(C)OC(=O)CC(Cc1ccccc1)(Cc1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PPARA Q07869 3/20 0.42
PPARG P37231 2/20 0.42
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
AKT1 P31749 2/20 0.40
CTSS P25774 2/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
MMP8 P22894 1/20 0.39
SLC6A2 P23975 1/20 0.39
TAAR1 Q96RJ0 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
SCHEMBL6447831 0.89 PPARA (0.39) HIF1ASMN1; SMN2PPARAPPARGCYP2C19
SCHEMBL7813698 0.81 SMN1; SMN2 (0.49) HIF1ASMN1; SMN2PPARAPPARGCYP2C19
SCHEMBL26931972 0.79 SMN1; SMN2 (0.50) HIF1ASMN1; SMN2PPARAPPARGCYP2C19
SCHEMBL7289855 0.77 HIF1A (0.53) HIF1ASMN1; SMN2PPARAPPARGCYP2C19
SCHEMBL1346095 0.75 TSHR (0.56) SMN1; SMN2ALDH1A1CA12CA1CA7
SCHEMBL5144292 0.73 MMP8 (0.51) HIF1ASMN1; SMN2PPARAPPARGCYP2C19
SCHEMBL11529107 0.73 SMN1; SMN2 (0.53) HIF1ASMN1; SMN2PPARAPPARGCYP2C19
SCHEMBL10710068 0.73 SMN1; SMN2 (0.53) HIF1ASMN1; SMN2PPARAPPARGCYP2C19
SCHEMBL1593582 0.73 CYP2C19 (0.53) HIF1ACYP2C19ALDH1A1CA12CA1
SCHEMBL7091384 0.73 MMP8 (0.46) HIF1ASMN1; SMN2PPARAPPARGCYP2C19

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