SCHEMBL7763131

SCHEMBL7763131

[CH2]CCCCc1cc(O)cc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.47
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MPI P34949 1/20 0.42
AKR1B1 P15121 1/20 0.38
CDC25B P30305 2/20 0.36
TRPM4 Q8TD43 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 1/20 0.34
USP2 O75604 1/20 0.34
GLA P06280 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL7265107 0.83 TLR8 (0.49) NQO2KDM4EALDH1A1MAPTHPGD
SCHEMBL29120679 0.82 ALOX5 (0.50) NQO2KDM4EALDH1A1MAPTHPGD
SCHEMBL29120678 0.82 ALOX5 (0.50) NQO2KDM4EALDH1A1MAPTHPGD
SCHEMBL29120680 0.81 NQO2 (0.48) NQO2KDM4EALDH1A1MAPTHPGD
SCHEMBL21585548 0.80 NQO2 (0.55) NQO2KDM4EALDH1A1MAPTHPGD
SCHEMBL7655964 0.80 CYP1A2 (0.47) MAPTMEN1KMT2ATDP1CYP1A2
SCHEMBL7652962 0.79 CYP1A2 (0.46) MAPTTDP1CYP1A2CYP3A4
SCHEMBL7655581 0.79 HTR6 (0.37) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL7649355 0.78 CHRNA7 (0.37) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL10436098 0.77 NQO2 (0.52) NQO2KDM4EALDH1A1MAPTHPGD

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-2001091796-A2 METHODS, COMPOUNDS AND COMPOSITIONS FOR TREATING GOUT GUILFORD PHARMACEUTICALS INC. (US) 2001-12-06 WO disclosed