SCHEMBL7545296

SCHEMBL7545296

CCOCCCCCc1c(O)nc2ccccc2c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.43
TLR8 Q9NR97 4/20 0.42
GBA1 P04062 1/20 0.42
KDM4E B2RXH2 8/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 6/20 0.40
TSHR P16473 2/20 0.40
CYP3A4 P08684 2/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
GLA P06280 2/20 0.39
USP2 O75604 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL7549952 0.95 NCF1 (0.45) NCF1TLR8GBA1KDM4EMAPT
SCHEMBL7551597 0.91 TLR8 (0.44) TLR8KDM4EMAPTALDH1A1TSHR
SCHEMBL7552824 0.91 MYC (0.43) NCF1TLR8GBA1KDM4EMAPT
SCHEMBL7546182 0.88 TLR8 (0.44) TLR8KDM4EMAPTALDH1A1TSHR
SCHEMBL7543049 0.86 TLR8 (0.41) NCF1TLR8KDM4EMAPTALDH1A1
SCHEMBL7548698 0.86 KDM4E (0.44) TLR8KDM4EALDH1A1TSHRCYP3A4
SCHEMBL7550406 0.86 TLR8 (0.55) TLR8KDM4EMAPTALDH1A1TSHR
SCHEMBL7550363 0.86 TLR8 (0.55) TLR8KDM4EMAPTALDH1A1TSHR
SCHEMBL7544738 0.86 TLR8 (0.55) TLR8KDM4EMAPTALDH1A1TSHR
SCHEMBL7548623 0.86 TLR8 (0.55) TLR8KDM4EMAPTALDH1A1TSHR

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