SCHEMBL9428161

SCHEMBL9428161

C=CCCc1cc(COC)nn1Cc1ccccc1-c1ccccc1C(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 4/20 0.35
SLC16A1 P53985 4/20 0.35
MCTS1 Q9ULC4 3/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
KLKB1 P03952 1/20 0.35
KDM4E B2RXH2 1/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
SLC6A2 P23975 1/20 0.34
NPBWR1 P48145 1/20 0.34

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
SCHEMBL9429451 0.79 SLC6A3 (0.43) SLC6A4SLC6A3SLC6A2
SCHEMBL9455354 0.78 PPARG (0.44)
SCHEMBL9428006 0.74 AGTR1 (0.49) SLC6A4SLC6A3
SCHEMBL9428342 0.74 FOLH1 (0.41) SLC16A3SLC16A1MCTS1
SCHEMBL9428305 0.73 AGTR1 (0.54)
SCHEMBL10813247 0.70 ALDH1A1 (0.62) ALDH1A1LMNAKDM4E
SCHEMBL9427557 0.69 AGTR1 (0.49) SLC6A4SLC6A3
SCHEMBL9492035 0.68 AGTR1 (0.43)
SCHEMBL9427632 0.67 AGTR1 (0.54)
SCHEMBL9427961 0.66 AGTR1 (0.51) SLC6A4SLC6A3

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
US-5315013-A Hypotensive E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-05-24 US disclosed
EP-0323841-B1 SUBSTITUTED PYRROLE, PYRAZOLE AND TRIAZOLE ANGIOTENSIN II ANTAGONISTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-08-04 EP disclosed
US-5189048-A Hypotensive agents E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-02-23 US disclosed
US-5093346-A Hypotensive agents, congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-03-03 US disclosed
US-5081127-A Hypotensive agents and treatment of congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-01-14 US disclosed
US-5043349-A Hypotensive agents, treatment of congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-08-27 US disclosed
US-5015651-A Triazole derivatives for treatment of congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-05-14 US disclosed
EP-0323841-A2 Substituted pyrrole, pyrazole and triazole angiotensin II antagonists E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-07-12 EP disclosed