SCHEMBL7363438

SCHEMBL7363438

CCOc1cc(OCC)cc(-c2ccc(CC(=O)O)c(=O)[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.43
RXRB P28702 2/20 0.43
RXRG P48443 1/20 0.43
PTGS2 P35354 2/20 0.42
MAPT P10636 5/20 0.38
HSD17B10 Q99714 2/20 0.38
ESR2 Q92731 1/20 0.38
KDM4E B2RXH2 4/20 0.37
GAA P10253 3/20 0.37
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
THRB P10828 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PLA2G2A P14555 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL7364453 0.78 KDM4E (0.45) PTGS2MAPTHSD17B10ESR2KDM4E
SCHEMBL9534054 0.73 PTGER3 (0.53) HSD17B10KDM4EALDH1A1HPGD
SCHEMBL21437911 0.69 POLB (0.51) MAPTHSD17B10KDM4EALDH1A1L3MBTL1
SCHEMBL11070050 0.69 HSD17B10 (0.50) MAPTHSD17B10KDM4EALDH1A1L3MBTL1
SCHEMBL23352167 0.68 THRB (0.61) RXRARXRBRXRGPTGS2MAPT
SCHEMBL7364529 0.68 HSD17B10 (0.40) MAPTHSD17B10KDM4EGAAALDH1A1
SCHEMBL7364525 0.68 HSD17B10 (0.40) MAPTHSD17B10KDM4EGAAALDH1A1
SCHEMBL9700651 0.68 MAPT (0.35) PTGS2MAPTHSD17B10ESR2KDM4E
SCHEMBL21686586 0.65 RXRA (0.58) RXRARXRBPTGS2MAPTHSD17B10
SCHEMBL13802494 0.65 PTGER1 (0.57) RXRARXRBPTGS2L3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0613467-A1 2-PYRIDINOL DERIVATIVES AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1994-09-07 EP claimed
WO-1993010093-A1 2-PYRIDINOL DERIVATIVES AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1993-05-27 WO claimed
EP-0613467-A1 2-PYRIDINOL DERIVATIVES AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1994-09-07 EP disclosed
WO-1993010093-A1 2-PYRIDINOL DERIVATIVES AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1993-05-27 WO disclosed