SCHEMBL12503115

SCHEMBL12503115

COCCCOc1cc(C[C@@H](C[C@H](NC(=O)O)[C@H]2C[C@@H](C(C)C)C(=O)O2)C(C)C)ccc1OC

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.48

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
SCHEMBL4048454 1.00 REN (0.48) REN
SCHEMBL14655570 1.00 REN (0.48) REN
SCHEMBL16020531 0.94 REN (0.49) REN
SCHEMBL4640296 0.93 REN (0.42) REN
SCHEMBL4640178 0.91 REN (0.40) REN
SCHEMBL14668826 0.90 REN (0.47) REN
SCHEMBL1931894 0.90 REN (0.46) REN
SCHEMBL842151 0.90 REN (0.46) REN
SCHEMBL14788401 0.90 REN (0.46) REN
SCHEMBL9907059 0.90 REN (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012021446-A2 PROCESS FOR PREPARING ALISKIREN AND ITS INTERMEDIATES DR. REDDY'S LABORATORIES LTD. (IN) 2012-02-16 WO disclosed