SCHEMBL4480914

SCHEMBL4480914

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.33
LDHB P07195 2/20 0.33
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
FABP3 P05413 1/20 0.31
FABP4 P15090 1/20 0.31
ALB P02768 2/20 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
SCHEMBL4495791 0.80 LDHA (0.37) LDHALDHBFABP3FABP4ALB
SCHEMBL4492334 0.77 TAAR1 (0.36) LDHALDHBKMT2AALB
SCHEMBL4491011 0.76 SMN1; SMN2 (0.44) LDHALDHBALDH1A1KMT2A
SCHEMBL4491379 0.76 FBP1 (0.34) LDHALDHBALDH1A1POLBKMT2A
SCHEMBL4487830 0.75 ALDH1A1 (0.33) ALDH1A1POLBKMT2A
SCHEMBL4463781 0.74 LDHA (0.33) LDHALDHBALDH1A1POLBKMT2A
SCHEMBL4498684 0.73 CSNK1D (0.44)
SCHEMBL4497032 0.73 ALDH1A1 (0.31) ALDH1A1POLBKMT2A
SCHEMBL4490395 0.70
SCHEMBL4491747 0.70 MEN1 (0.40) ALDH1A1POLBKMT2A

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