SCHEMBL1915040

SCHEMBL1915040

Cn1nccc1CC(C=O)CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.40
KDM4C Q9H3R0 2/20 0.38
P2RX7 Q99572 3/20 0.36
MAPK1 P28482 1/20 0.36
CTSA P10619 1/20 0.35
HTT P42858 1/20 0.34
GPR52 Q9Y2T5 1/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
KCNH2 Q12809 1/20 0.33
KEAP1 Q14145 2/20 0.32

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
SCHEMBL17791881 0.72 SLC1A3 (0.47) KMT2AL3MBTL1KDM4C
SCHEMBL12786644 0.68 KMT2A (0.42) KMT2AL3MBTL1KDM4CP2RX7MAPK1
SCHEMBL1915970 0.67 CPA3 (0.56) KEAP1
SCHEMBL31477163 0.67 POLB (0.45) KMT2AL3MBTL1POLBKDM4CMAPK1
SCHEMBL1916048 0.67 KMT2A (0.49) KMT2A
SCHEMBL29675373 0.67 KMT2A (0.47) KMT2AL3MBTL1KDM4C
SCHEMBL20738685 0.67 KMT2A (0.41) KMT2AL3MBTL1KDM4CP2RX7FNTA
SCHEMBL1914508 0.66 KMT2A (0.37) KMT2AL3MBTL1POLBKDM4CP2RX7
SCHEMBL28020490 0.66 MAPK1 (0.46) KMT2AL3MBTL1KDM4CMAPK1
SCHEMBL31326469 0.66 NAPRT (0.54) HTT

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
WO-2011076734-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed