SCHEMBL8684338

SCHEMBL8684338

CC(C[C@H](O)[C@H](C[C@H](Cc1ccc(C(C)(C)C)c(OCc2ccccc2[N+](=O)[O-])c1)C(C)C)NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 12/20 0.43
KDM4A O75164 1/20 0.39
PTPN1 P18031 1/20 0.38
PDCD1 Q15116 2/20 0.36
CD274 Q9NZQ7 2/20 0.36
BCL2 P10415 1/20 0.36
MCL1 Q07820 1/20 0.36

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
SCHEMBL6044168 0.86 REN (0.54) REN
SCHEMBL6044163 0.86 REN (0.54) REN
SCHEMBL8859891 0.86 REN (0.54) REN
SCHEMBL6044845 0.84 REN (0.47) REN
SCHEMBL6045134 0.84 REN (0.43) REN
SCHEMBL6044522 0.84 REN (0.52) REN
SCHEMBL6044716 0.83 REN (0.59) RENPTPN1
SCHEMBL6045129 0.83 REN (0.60) REN
SCHEMBL6044679 0.82 REN (0.59) REN
SCHEMBL6044144 0.82 REN (0.48) REN

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5705658-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-01-06 US disclosed
US-5654445-A INTERMEDIATES FOR RENIN INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-08-05 US disclosed
US-5646143-A FOR TREATING A VARIETY OF CONDITIONS CIBA-GEIGY CORPORATION (US) 1997-07-08 US disclosed
US-5627182-A RENIN INHIBITORS FOR USE AS HYPOTENSIVE AGENTS CIBA GEIGY CORPORATION (US) 1997-05-06 US disclosed
US-5559111-A HYPOTENSIVE AGENTS; RENIN INHIBITORS; Aliskiren CIBA-GEIGY CORPORATION (US) 1996-09-24 US disclosed