SCHEMBL7362445

SCHEMBL7362445

CC=Cc1cc(-c2ccc(C(C)=O)c(=O)[nH]2)ccc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
ALOX5 P09917 2/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDE4A P27815 2/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
HMGCR P04035 1/20 0.37
CYP3A4 P08684 1/20 0.37
JUN P05412 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
SCHEMBL7362442 1.00 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2GAARXFP1
SCHEMBL7364525 0.81 HSD17B10 (0.40) KDM4EALDH1A1SMN1; SMN2GAARXFP1
SCHEMBL7364529 0.81 HSD17B10 (0.40) KDM4EALDH1A1SMN1; SMN2GAARXFP1
SCHEMBL7371751 0.80 KDM4E (0.57) KDM4EALDH1A1GAAALOX5POLB
SCHEMBL7371748 0.80 KDM4E (0.57) KDM4EALDH1A1GAAALOX5POLB
SCHEMBL9526095 0.73 ALOX5 (0.36) KDM4EALDH1A1GAAALOX5POLB
SCHEMBL9526087 0.73 ALOX5 (0.36) KDM4EALDH1A1GAAALOX5POLB
SCHEMBL11185360 0.73 KDM4E (0.68) KDM4EALDH1A1SMN1; SMN2GAARXFP1
SCHEMBL11183546 0.70 TDP1 (0.56) KDM4EALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL9754413 0.69 PTGER3 (0.56) KDM4EALDH1A1SMN1; SMN2GAARXFP1

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-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