SCHEMBL4425832

SCHEMBL4425832

O=C(O)CCc1cc2ccc(F)cc2[nH]c1=O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.55
DDO Q99489 1/20 0.55
KDM4E B2RXH2 10/20 0.46
HSD17B10 Q99714 7/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 5/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 4/20 0.44
ALDH1A1 P00352 2/20 0.44
GPR17 Q13304 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
FFAR1 O14842 1/20 0.42
PPARG P37231 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
SCHEMBL17580228 0.82 KDM4E (0.62) DAODDOKDM4EHSD17B10SMN1; SMN2
SCHEMBL5637951 0.82 DAO (0.49) DAODDOKDM4EHSD17B10TSHR
SCHEMBL4436424 0.82 KDM4E (0.48) DAODDOKDM4EHSD17B10SMN1; SMN2
SCHEMBL4437503 0.81 MAPK1 (0.58) DAODDOKDM4EHSD17B10SMN1; SMN2
SCHEMBL4425807 0.77 GPR17 (0.52) GPR17
SCHEMBL1122187 0.76 PTGDR2 (0.45) DAODDOGPR17MAPTFFAR1
SCHEMBL3843996 0.75 DAO (0.55) DAODDOKDM4EHSD17B10SMN1; SMN2
SCHEMBL31423115 0.74 DAO (0.63) DAODDOKDM4EHSD17B10TSHR
SCHEMBL11192809 0.74 DAO (0.50) DAODDOKDM4EHSD17B10TSHR
SCHEMBL31381369 0.74 DAO (0.50) DAODDOKDM4EHSD17B10TSHR

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-2125813-A2 COMPOUNDS Glaxo Group Limited (GB) 2009-12-02 EP disclosed
WO-2008116815-A2 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-02 WO disclosed