SCHEMBL4495789

SCHEMBL4495789

CCc1c(C(=O)O)c(I)n(C)c1I

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.32
USP2 O75604 1/20 0.32
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL4480912 0.80
SCHEMBL8573447 0.70 ALDH1A1 (0.39) HSD17B10
SCHEMBL1009054 0.70 ALDH1A1 (0.39) HSD17B10
SCHEMBL29150788 0.68 ALDH1A1 (0.37) HSD17B10
SCHEMBL16950065 0.67 KDM4E (0.35) HSD17B10
SCHEMBL16731961 0.67 USP2 (0.38) USP2
SCHEMBL14989322 0.66 ALDH1A1 (0.36) HSD17B10
SCHEMBL6014064 0.66 ALDH1A1 (0.36) HSD17B10
SCHEMBL29614893 0.66 ALDH1A1 (0.36) HSD17B10
SCHEMBL13343473 0.66 ALDH1A1 (0.36) USP2HSD17B10

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