SCHEMBL3072939

SCHEMBL3072939

COCCCn1ncc2ccc(C(OC3CCN(C(=O)OC(C)(C)C)CC3)c3ccc(OCCCOCc4ccccc4OC)cc3)cc21

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.37
TP53 P04637 5/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 3/20 0.36
CYP3A4 P08684 1/20 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
SCHEMBL3263402 0.81 REN (0.38) RENTP53LMNA
SCHEMBL3417109 0.81 REN (0.49) RENCYP3A4
SCHEMBL3072934 0.77 REN (0.42) RENCYP3A4
SCHEMBL3080326 0.73 REN (0.52) RENCYP3A4
SCHEMBL3417113 0.72 REN (0.41) RENCYP3A4
SCHEMBL3259291 0.71 REN (0.52) RENCYP3A4
SCHEMBL6234063 0.69 REN (0.49) REN
SCHEMBL3065312 0.69 PDE4B (0.43) RENCYP3A4
SCHEMBL3080536 0.69 REN (0.48) REN
SCHEMBL3077448 0.69 REN (0.51) 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-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed