SCHEMBL4368200

SCHEMBL4368200

CC(N)c1cc(O)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
HTT P42858 3/20 0.45
ALOX15 P16050 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MIF P14174 2/20 0.45
TYR P14679 2/20 0.45
ALDH1A1 P00352 2/20 0.45
NR1I2 O75469 1/20 0.45
CYP2C9 P11712 1/20 0.45
NFE2L2 Q16236 1/20 0.45
RECQL P46063 4/20 0.44
TDP1 Q9NUW8 4/20 0.44
KDM4E B2RXH2 4/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 2/20 0.44
HIF1A Q16665 2/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
THPO P40225 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL31485748 1.00 LMNA (0.45) LMNAHTTALOX15HSD17B10MIF
Bromide SCHEMBL10939960 0.98 LMNA (0.43) LMNAHTTALOX15HSD17B10MIF
SCHEMBL12958049 0.85 KDM4E (0.53) LMNAHTTALOX15HSD17B10MIF
SCHEMBL22503911 0.82 TYR (0.55) LMNAHTTMIFTYRADRB1
SCHEMBL22499940 0.82 TDP1 (0.53) LMNAHTTALOX15HSD17B10MIF
SCHEMBL29457584 0.81 GABRA1 (0.52) LMNAHTTALOX15HSD17B10MIF
SCHEMBL51176 0.81 TYR (0.48) LMNAHTTALOX15HSD17B10MIF
SCHEMBL67887 0.81 GABRA1 (0.52) LMNAHTTALOX15HSD17B10MIF
SCHEMBL9198019 0.80 LMNA (0.52) LMNAALOX15HSD17B10ALDH1A1RECQL
SCHEMBL5681804 0.80 PDE10A (0.50) LMNAHTTALOX15HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009012375-A2 SQUARATE KINASE INHIBITORS WYETH (US) 2009-01-22 WO disclosed