SCHEMBL22149145

SCHEMBL22149145

O=C1CCCC(O)=C1C(=O)c1ccc2nccc(OCC(F)(F)F)c2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.34
HNF4A P41235 1/20 0.34
GSK3B P49841 3/20 0.33
GSK3A P49840 2/20 0.33
MET P08581 2/20 0.33
AXL P30530 2/20 0.33
MERTK Q12866 2/20 0.33
TRPV1 Q8NER1 2/20 0.32
POLB P06746 2/20 0.32
LMNA P02545 2/20 0.32
GAA P10253 2/20 0.32
APP P05067 1/20 0.32
UGCG Q16739 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
IDO1 P14902 3/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
SLC22A12 Q96S37 1/20 0.31
ALDH1A1 P00352 1/20 0.31
BUB1 O43683 1/20 0.31

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
SCHEMBL22148990 0.87 IDO1 (0.35) GSK3BMETAXLMERTKIDO1
SCHEMBL22149083 0.85 SLC22A12 (0.38) METAXLMERTKLMNAGAA
SCHEMBL22149060 0.84 SRC (0.37) RXRAMETAXLMERTKSLC22A12
SCHEMBL22149075 0.83 IRAK4 (0.40)
SCHEMBL22148994 0.82 MET (0.51) METAXLMERTK
SCHEMBL22149059 0.81 MET (0.38) METAXLMERTKL3MBTL1KDM4E
SCHEMBL22149082 0.81 MET (0.36) METAXLMERTKIDO1
SCHEMBL22149080 0.81 PDGFRA (0.41) METAXLMERTKIDO1
SCHEMBL22149077 0.80 IRAK4 (0.49) LMNAMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL22149101 0.80 KDR (0.43) METAXLMERTKIDO1CYP3A4

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-2020124515-A1 QUINOLINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF 东莞市东阳光农药研发有限公司 2020-06-25 WO disclosed