SCHEMBL4500631

SCHEMBL4500631

CCc1c(C(=O)O)c(C=O)n(C)c1-c1ccc(F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TTR P02766 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
DHFR P00374 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
LMNA P02545 1/20 0.36
ALB P02768 1/20 0.36
HMGB1 P09429 1/20 0.36
CXCL12 P48061 1/20 0.36
KMT2A Q03164 1/20 0.36
HIF1A Q16665 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
KMO O15229 2/20 0.35

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
SCHEMBL4490745 0.82 GRIA2 (0.40) DHODHKDM4EALDH1A1HSD17B10USP2
SCHEMBL4492957 0.76 GRIA2 (0.42) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL4491009 0.75 ALDH1A1 (0.43) DHODHKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4498679 0.72 CCNC (0.36) KDM4EALDH1A1HPGDLMNAHTT
SCHEMBL4504195 0.71 CCR1 (0.38) KDM4EALDH1A1MEN1LMNAKMT2A
SCHEMBL4488870 0.70 MEN1 (0.43) DHODHKDM4EALDH1A1MEN1LMNA
SCHEMBL4488653 0.70 ERCC1 (0.38) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL4492339 0.69 MAPT (0.34) KDM4EALDH1A1HPGDMEN1LMNA
SCHEMBL4480912 0.68
SCHEMBL4495477 0.68 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHSD17B10MEN1

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