SCHEMBL5308498

SCHEMBL5308498

CCc1ccc(N(NC(=O)O)C(=O)O)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.39
ALDH1A1 P00352 6/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
GFER P55789 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP3A4 P08684 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
APLNR P35414 1/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL4083109 0.77 KDM4E (0.37) HSD17B10ALDH1A1MAPTMAPK1GFER
SCHEMBL8361535 0.73 ALDH1A1 (0.44) HSD17B10ALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL16479314 0.70 KDM4E (0.42) HSD17B10ALDH1A1L3MBTL1KDM4EKDM4C
SCHEMBL14409742 0.69 MEN1 (0.46) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL2592749 0.68 CA12 (0.67) ALDH1A1MAPK1KDM4ETSHRHTT
SCHEMBL8429886 0.67 MAPT (0.60) HSD17B10POLBALDH1A1MAPTNPSR1
SCHEMBL31172821 0.67 APLNR (0.66) HSD17B10ALDH1A1MAPTCYP3A4MEN1
SCHEMBL805138 0.67 APLNR (0.66) HSD17B10ALDH1A1MAPTCYP3A4MEN1
SCHEMBL10187102 0.67 L3MBTL1 (0.60) HSD17B10POLBALDH1A1L3MBTL1MAPT
SCHEMBL10562771 0.67 ALDH1A1 (0.44) HSD17B10POLBALDH1A1MAPTMAPK1

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-1778686-A2 TRIAZOLOPYRIDINYLSULFANYL DERIVATIVES AS P38 MAP KINASE INHIBITORS Pfizer Limited (GB) 2007-05-02 EP disclosed
WO-2006018718-A2 TRIAZOLOPYRIDINYLSULFANYL DERIVATIVES AS P38 MAP KINASE INHIBITORS PFIZER LIMITED (GB) 2006-02-23 WO disclosed