SCHEMBL7546182

SCHEMBL7546182

CCCCCOCCCc1c(O)nc2ccccc2c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 9/20 0.44
KDM4E B2RXH2 4/20 0.43
TSHR P16473 2/20 0.43
CYP3A4 P08684 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP1A2 P05177 1/20 0.43
ALDH1A1 P00352 4/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 2/20 0.43
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 3/20 0.41
MAPK1 P28482 1/20 0.41
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RXFP1 Q9HBX9 2/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL7548698 0.96 KDM4E (0.44) TLR8KDM4ETSHRCYP3A4HSD17B10
SCHEMBL7543446 0.95 KDM4E (0.43) TLR8KDM4ETSHRCYP3A4HSD17B10
SCHEMBL7551597 0.92 TLR8 (0.44) TLR8KDM4ETSHRCYP3A4HSD17B10
SCHEMBL7549952 0.90 NCF1 (0.45) TLR8KDM4ETSHRCYP3A4HSD17B10
SCHEMBL7544070 0.89 TLR8 (0.54) TLR8KDM4ETSHRCYP3A4HSD17B10
SCHEMBL7545296 0.88 NCF1 (0.43) TLR8KDM4ETSHRCYP3A4HSD17B10
SCHEMBL7548623 0.87 TLR8 (0.55) TLR8KDM4ETSHRCYP3A4HSD17B10
SCHEMBL7550406 0.87 TLR8 (0.55) TLR8KDM4ETSHRCYP3A4HSD17B10
SCHEMBL7544738 0.87 TLR8 (0.55) TLR8KDM4ETSHRCYP3A4HSD17B10
SCHEMBL7550363 0.87 TLR8 (0.55) TLR8KDM4ETSHRCYP3A4HSD17B10

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-2002046163-A2 QUINOLINE DERIVATIVES AND THEIR USE AS ANTI-EPILEPTICS WACKERNAGEL MICHAEL (DE) 2002-06-13 WO disclosed