SCHEMBL4495791

SCHEMBL4495791

CC(C)c1c(I)[nH]c(I)c1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.37
LDHB P07195 2/20 0.37
FABP3 P05413 1/20 0.35
FABP4 P15090 1/20 0.35
ALB P02768 3/20 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
SCHEMBL4480914 0.80 LDHA (0.33) LDHALDHBFABP3FABP4ALB
SCHEMBL22418970 0.71 LDHA (0.47) LDHALDHBFABP3FABP4ALB
SCHEMBL31586352 0.71 LDHA (0.47) LDHALDHBFABP3FABP4ALB
SCHEMBL5441713 0.67 LDHA (0.44) LDHALDHBFABP3FABP4ALB
SCHEMBL29504076 0.67 LDHA (0.44) LDHALDHBFABP3FABP4ALB
SCHEMBL3585516 0.65 LDHA (0.33) LDHALDHBALB
SCHEMBL21757301 0.62 TYMP (0.34)
SCHEMBL25451187 0.62 LDHA (0.44) LDHALDHBFABP3FABP4ALB
SCHEMBL2012332 0.62 LDHA (0.40) LDHALDHBFABP3FABP4ALB
SCHEMBL18009661 0.62 LDHA (0.48) LDHALDHBFABP3FABP4ALB

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