SCHEMBL7013976

SCHEMBL7013976

Nc1cc(C(=O)O)c(=O)[nH]n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 3/20 0.40
GAA P10253 2/20 0.40
DYRK1A Q13627 1/20 0.40
GABRP O00591 3/20 0.39
GABRD O14764 3/20 0.39
GABRA1 P14867 3/20 0.39
GABRB1 P18505 3/20 0.39
GABRG2 P18507 3/20 0.39
GABRB3 P28472 3/20 0.39
GABRA5 P31644 3/20 0.39
GABRA3 P34903 3/20 0.39
GABRA2 P47869 3/20 0.39
GABRB2 P47870 3/20 0.39
GABRA4 P48169 3/20 0.39
GABRE P78334 3/20 0.39
GABRA6 Q16445 3/20 0.39
GABRG1 Q8N1C3 3/20 0.39
GABRG3 Q99928 3/20 0.39

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
SCHEMBL949563 0.76 KDM4E (0.48) KDM4EHPGDHSD17B10GAADYRK1A
SCHEMBL1847601 0.76 DYRK1A (0.48) KDM4EHPGDHSD17B10GAADYRK1A
SCHEMBL15822839 0.72
SCHEMBL1269795 0.72
SCHEMBL17416595 0.72 POLB (0.42) KDM4EHPGDHSD17B10GAADYRK1A
SCHEMBL27535230 0.72 NOTUM (0.39) KDM4EHPGDHSD17B10GAADYRK1A
SCHEMBL1925580 0.71 TP53 (0.62) KDM4EGAALDHAALPLPOLB
SCHEMBL2950654 0.68 GSK3B (0.53) GAADYRK1AALDH1A1ALPLMAPT
SCHEMBL1927068 0.68 TP53 (0.58) KDM4EHSD17B10GAAALPLPOLB
SCHEMBL4854459 0.68 ALPL (0.64) HSD17B10ALPLPOLBESR2

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
EP-1309565-A1 HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-05-14 EP disclosed
WO-2002012199-A1 HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2002-02-14 WO disclosed