SCHEMBL3351153

SCHEMBL3351153

CC(C(=O)O)c1cccc2c1C(=O)NC2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CASP3 P42574 7/20 0.43
PTGS2 P35354 2/20 0.41
GSK3B P49841 2/20 0.39
CXCL8 P10145 1/20 0.39
CASP2 P42575 2/20 0.39
CASP7 P55210 2/20 0.39
CASP6 P55212 2/20 0.39
CASP8 Q14790 2/20 0.39
POLB P06746 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PARP1 P09874 1/20 0.38
GSK3A P49840 1/20 0.37

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
SCHEMBL9006880 0.83 KDM4E (0.46) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL2824441 0.81 KDM4E (0.49) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL166123 0.81 HPGD (0.47) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL28128763 0.79 KDM4E (0.46) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL27494084 0.78 ALDH1A1 (0.45) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL57295 0.78 KDM4E (0.45) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL28192702 0.78 KDM4E (0.45) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL10922058 0.77 KDM4E (0.45) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL28247275 0.77 GSK3B (0.44) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL10922052 0.77 KDM4E (0.45) KDM4EALDH1A1GAAHPGDHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010042851-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-04-15 WO disclosed
US-5567411-A ADMINISTERING TO A WARM-BLOODED ANIMAL TO OBTAIN A MAGNETIC RESONANCE IMAGE OF SUBJECT STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON (US) 1996-10-22 US disclosed