SCHEMBL1051768

SCHEMBL1051768

COCCCc1cn(C)c2ccc(CC(CC(C(O)CNC(C)C)N(C(=O)O)C(C)(C)C)C(C)C)cc12

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.36
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL1051389 0.91 REN (0.39) REN
SCHEMBL1050935 0.90 REN (0.38) REN
SCHEMBL5050468 0.84 KDM4E (0.38) RENKDM4EHPGDHSD17B10
SCHEMBL1051030 0.84 ADA (0.35) RENKDM4EHPGDHSD17B10
SCHEMBL1049204 0.83 REN (0.34) RENKDM4EHPGDHSD17B10
SCHEMBL1049541 0.83 REN (0.42) REN
Hydrochloric Acid SCHEMBL1049680 0.82 REN (0.43) REN
SCHEMBL1051085 0.81 REN (0.34) RENKDM4EHPGDHSD17B10
SCHEMBL1049890 0.77 REN (0.40) REN
Hydrochloric Acid SCHEMBL1050541 0.77 REN (0.49) 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-7868036-B2 Organic compounds NOVARTIS AG (CH) 2011-01-11 US disclosed