SCHEMBL4799445

SCHEMBL4799445

CC(C)(C)OC(=O)c1cnc(C(C(=O)O)C(=O)O)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.38
S1PR3 Q99500 2/20 0.36
GABRA1 P14867 4/20 0.36
GABRG2 P18507 4/20 0.36
GABRB3 P28472 4/20 0.36
GABRA5 P31644 4/20 0.36
GABRA3 P34903 4/20 0.36
GABRA2 P47869 4/20 0.36
GABRA6 Q16445 4/20 0.36
GABRA4 P48169 3/20 0.36
MET P08581 1/20 0.35
PTPN1 P18031 1/20 0.35
FPR2 P25090 2/20 0.33
SCN9A Q15858 2/20 0.33
HDAC6 Q9UBN7 1/20 0.33
VNN1 O95497 2/20 0.33
HPGDS O60760 1/20 0.33
TET2 Q6N021 1/20 0.32
OGFOD1 Q8N543 1/20 0.32
TET1 Q8NFU7 1/20 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
SCHEMBL3544099 0.89 LMNA (0.37) SLC7A5S1PR3GABRA1GABRG2GABRB3
SCHEMBL21702362 0.77 TDP1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30047650 0.77 TDP1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4796423 0.73 KEAP1 (0.41) SLC7A5S1PR3GABRA1GABRG2GABRB3
SCHEMBL27432514 0.72 GABRA1 (0.39) SLC7A5GABRA1GABRG2GABRB3GABRA5
SCHEMBL21094068 0.71 TDP1 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2132762 0.71 GABRG2 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17785020 0.70 S1PR1 (0.49) S1PR3S1PR1TDP1CA12CA1
SCHEMBL662974 0.70 CES2 (0.50) SLC7A5GABRA1GABRG2GABRB3GABRA5
SCHEMBL6141564 0.70 ALOX15 (0.41) SLC7A5GABRA1GABRG2GABRB3GABRA5

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
EP-1935881-A1 ARYL-SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-06-25 EP disclosed