SCHEMBL10659458

SCHEMBL10659458

Cc1ccccc1CCOC(=O)NC(CO)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
PPARG P37231 1/20 0.43
ALOX5 P09917 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
NMBR P28336 4/20 0.40
CTSK P43235 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CASP1 P29466 2/20 0.39
MME P08473 1/20 0.39
TGFBR1 P36897 1/20 0.38

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
SCHEMBL3106421 0.83 ADRB2 (0.44) L3MBTL1
SCHEMBL4402023 0.83 ADRB2 (0.44) L3MBTL1
SCHEMBL4758614 0.79 TSHR (0.43) L3MBTL1
SCHEMBL3094213 0.78 TDP1 (0.51) PPARGMME
SCHEMBL5089560 0.77 CTSK (0.45) PPARGCTSKL3MBTL1
SCHEMBL5086244 0.77 CTSK (0.45) PPARGCTSKL3MBTL1
Hydrochloric Acid SCHEMBL27464326 0.76 L3MBTL1 (0.47) PPARGL3MBTL1MME
SCHEMBL3090625 0.75 TGFBR1 (0.47) MMETGFBR1
SCHEMBL10347904 0.75 ALOX5 (0.49) KDM4EPPARGALOX5CHRM5CHRM1
SCHEMBL29012364 0.74 CTSK (0.53) CTSKCASP1

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-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed