Sugi Predict

Sugi Predict / Compounds / SCHEMBL1941813

SCHEMBL1941813

SCHEMBL1941813

COc1ccccc1COCCCOc1ccc([C@H]2[C@@H](CO)CN(C(=O)OC(C)(C)C)C[C@@H]2OCc2cc(OC)c3ccccc3c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 18/20 0.59
▸ PDE4B Q07343 2/20 0.41

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
SCHEMBL1942041 1.00 REN (0.59) RENPDE4B
SCHEMBL1941811 1.00 REN (0.59) RENPDE4B
SCHEMBL1942047 0.93 REN (0.55) RENPDE4B
SCHEMBL1943045 0.93 REN (0.56) RENPDE4B
SCHEMBL1941741 0.91 REN (0.66) RENPDE4B
SCHEMBL1940582 0.91 REN (0.56) RENPDE4B
SCHEMBL6888719 0.91 REN (0.66) RENPDE4B
SCHEMBL1940264 0.90 REN (0.74) RENPDE4B
SCHEMBL1940267 0.90 REN (0.74) RENPDE4B
SCHEMBL1940748 0.90 REN (0.75) RENPDE4B

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
EP-1175400-B1 RENIN INHIBITORS HOFFMANN LA ROCHE (CH) 2011-06-15 — — EP disclosed