SCHEMBL6573989

SCHEMBL6573989

COC(=O)c1ccccc1-c1cc(C(=O)O)ccc1C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.48
SLC6A4 P31645 3/20 0.48
SLC6A2 P23975 1/20 0.48
TTR P02766 1/20 0.45
ALDH1A1 P00352 4/20 0.44
PTPRC P08575 2/20 0.44
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PLA2G7 Q13093 2/20 0.43
CFTR P13569 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RAD52 P43351 1/20 0.42

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
SCHEMBL7576345 0.88 TTR (0.45) SLC6A3SLC6A4SLC6A2TTRALDH1A1
SCHEMBL22292439 0.84 KDM4E (0.54) ALDH1A1TSHRLMNAKDM4EMEN1
SCHEMBL12928420 0.82 SLC6A3 (0.57) SLC6A3SLC6A4SLC6A2ALDH1A1PTPRC
Bicarbonate SCHEMBL27492792 0.81 SLC6A3 (0.54) SLC6A3SLC6A4SLC6A2ALDH1A1TSHR
SCHEMBL9549 0.81 SLC6A3 (0.57) SLC6A3SLC6A4SLC6A2ALDH1A1PTPRC
SCHEMBL27532181 0.79 TSHR (0.51) SLC6A3SLC6A4SLC6A2TTRALDH1A1
SCHEMBL1170268 0.79 KDM4E (0.47) ALDH1A1TSHRLMNAKDM4EMAPT
SCHEMBL6437163 0.79 SLC6A3 (0.59) SLC6A3SLC6A4SLC6A2ALDH1A1TSHR
SCHEMBL7570354 0.79 KDM4E (0.53) SLC6A3SLC6A4SLC6A2ALDH1A1TSHR
SCHEMBL69464 0.79 SLC6A3 (0.67) SLC6A3SLC6A4SLC6A2ALDH1A1PTPRC

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-1435942-A1 5'-CARBAMOYL-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-14 EP disclosed
WO-2003032980-A1 5'-CARBAMOYL-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 WO disclosed