SCHEMBL4487829

SCHEMBL4487829

CCc1c(C(=O)O)c(C=O)n(C)c1CC(CC)CC

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4491376 0.88 GAA (0.33)
SCHEMBL4497030 0.82
SCHEMBL4493426 0.79
SCHEMBL4499053 0.78 AGTR1 (0.36) KDM4E
SCHEMBL4480912 0.74
SCHEMBL4486933 0.74 PLA2G1B (0.43)
SCHEMBL4491009 0.70 ALDH1A1 (0.43) KDM4E
SCHEMBL4480830 0.68 ALDH1A1 (0.32)
SCHEMBL4498679 0.67 CCNC (0.36) KDM4E
SCHEMBL4505678 0.67 ALDH1A1 (0.33)

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-7504429-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-03-17 US claimed