SCHEMBL9928632

SCHEMBL9928632

COCCCOc1cc(C[C@H](C[C@H](NC(=O)OCc2ccccc2)[C@@H]2C[C@@H](C(C)C)C(=O)O2)C(C)C)ccc1OC

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.47
CYP3A4 P08684 1/20 0.44

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
SCHEMBL14788400 1.00 REN (0.47) RENCYP3A4
SCHEMBL7343601 1.00 REN (0.47) RENCYP3A4
SCHEMBL14791593 0.90 REN (0.48) REN
SCHEMBL16511409 0.90 REN (0.48) REN
SCHEMBL14655570 0.90 REN (0.48) REN
SCHEMBL4048454 0.90 REN (0.48) REN
SCHEMBL12503115 0.90 REN (0.48) REN
SCHEMBL16020531 0.89 REN (0.49) REN
SCHEMBL9907059 0.88 REN (0.46) REN
SCHEMBL1931894 0.88 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
US-8203005-B2 Manufacturing process for enantiomerically pure 8-aryloctanoic acids as Aliskiren CARBO DESIGN LLC (US) 2012-06-19 US disclosed