SCHEMBL11484201

SCHEMBL11484201

COc1ccc(C2C(C(=O)O)CC(=O)N2C)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
PDE4A P27815 6/20 0.51
PDE4B Q07343 6/20 0.51
PDE4C Q08493 6/20 0.51
PDE4D Q08499 6/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ACHE P22303 1/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA12 O43570 1/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL11475018 0.90 KMT2A (0.48) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL11482281 0.90 PDE4A (0.51) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL11488323 0.87 KMT2A (0.69) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL11488287 0.84 ALDH1A1 (0.55) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL11487201 0.83 ALDH1A1 (0.55) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL11478762 0.82 L3MBTL1 (0.71) KMT2AL3MBTL1CA1CA2MEN1
SCHEMBL11479660 0.81 ALDH1A1 (0.49) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL11488063 0.81 HSD17B2 (0.54) L3MBTL1HSD17B10ALDH1A1TSHR
SCHEMBL11482189 0.78 KMT2A (0.60) KMT2AL3MBTL1MEN1ALDH1A1TSHR
SCHEMBL10685501 0.77 LMNA (0.58) KMT2AL3MBTL1MEN1ALDH1A1TSHR

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-4219560-A ANTILIPEMIC AGENTS SANDOZ, INC. (US) 1980-08-26 US disclosed