SCHEMBL3072934

SCHEMBL3072934

COCCCn1ncc2ccc(COC3CC(c4ccc(OCCCOCc5ccccc5OC)cc4)CCN3C(=O)OC(C)(C)C)cc21

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 17/20 0.42
CYP3A4 P08684 2/20 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
SCHEMBL3417109 0.84 REN (0.49) RENCYP3A4
SCHEMBL3087263 0.82 REN (0.41) RENCYP3A4
SCHEMBL3072786 0.80 REN (0.42) REN
SCHEMBL3263399 0.80 REN (0.38) RENCYP3A4
SCHEMBL3080326 0.79 REN (0.52) RENCYP3A4
SCHEMBL3072939 0.77 REN (0.37) RENCYP3A4
SCHEMBL13030359 0.76 REN (0.73) REN
SCHEMBL3081133 0.76 REN (0.73) REN
SCHEMBL3072937 0.76 REN (0.36) RENCYP3A4
SCHEMBL3259290 0.76 REN (0.49) RENCYP3A4

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-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed