SCHEMBL4482498

SCHEMBL4482498

CCc1c(C(=O)O)c(C=O)n(C)c1C#CC(C)(O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FLT4 P35916 1/20 0.35
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL4490394 0.85
SCHEMBL4504364 0.83
SCHEMBL4489152 0.81 TDP1 (0.44) ATMTDP1L3MBTL1
SCHEMBL4485724 0.76 FFAR1 (0.37) ATMTDP1L3MBTL1
SCHEMBL4495534 0.76 GRM5 (0.39)
SCHEMBL4504858 0.73 PYCR1 (0.39)
SCHEMBL4505670 0.72
SCHEMBL4494936 0.72
SCHEMBL4505398 0.72
SCHEMBL4491009 0.72 ALDH1A1 (0.43) ATML3MBTL1

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