SCHEMBL4609486

SCHEMBL4609486

COCCCN1C(=O)C(C)(C)c2ccc(COC3CN(C(=O)OCc4ccccc4)CC(O[Si](C(C)C)(C(C)C)C(C)C)C3c3ccc(OCCCOCc4ccccc4OC)cc3)cc21

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.41
CYP3A4 P08684 4/20 0.40

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
SCHEMBL4581792 1.00 REN (0.41) RENCYP3A4
SCHEMBL1036805 0.90 REN (0.41) RENCYP3A4
SCHEMBL1039554 0.87 REN (0.47) REN
SCHEMBL3946423 0.84 REN (0.43) RENCYP3A4
SCHEMBL1036304 0.83 REN (0.44) REN
SCHEMBL3066414 0.83 REN (0.50) RENCYP3A4
SCHEMBL2340812 0.82 REN (0.43) RENCYP3A4
SCHEMBL3071794 0.81 REN (0.47) RENCYP3A4
SCHEMBL4582706 0.81 REN (0.44) RENCYP3A4
SCHEMBL3938967 0.81 REN (0.50) 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
EP-1908761-A1 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed