SCHEMBL6159533

SCHEMBL6159533

CC(C)=C(C(=O)O)c1ccccc1COc1cccc(C(F)(F)F)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 2/20 0.39
MRGPRX4 Q96LA9 3/20 0.36
HCRTR2 O43614 5/20 0.36
HCRTR1 O43613 4/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
P2RX7 Q99572 1/20 0.35
OPRL1 P41146 1/20 0.34
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
MCL1 Q07820 1/20 0.34
HIF1A Q16665 1/20 0.34
SYK P43405 1/20 0.34
GRM5 P41594 1/20 0.33
FOLH1 Q04609 1/20 0.33

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
SCHEMBL3892676 0.90 TAS2R14 (0.39) TAS2R14MRGPRX4HCRTR2HCRTR1MAOA
SCHEMBL2259596 0.90 TAS2R14 (0.39) TAS2R14MRGPRX4HCRTR2HCRTR1MAOA
SCHEMBL4648199 0.84 TAS2R14 (0.39) TAS2R14MRGPRX4HCRTR2HCRTR1MAOA
SCHEMBL31634978 0.84 TAS2R14 (0.40) TAS2R14MRGPRX4HCRTR2HCRTR1P2RX7
SCHEMBL20552906 0.84 TAS2R14 (0.40) TAS2R14MRGPRX4HCRTR2HCRTR1P2RX7
SCHEMBL8726616 0.82 TAS2R14 (0.39) TAS2R14MRGPRX4HCRTR2HCRTR1P2RX7
SCHEMBL31287388 0.82 TAS2R14 (0.39) TAS2R14MRGPRX4HCRTR2HCRTR1P2RX7
SCHEMBL1132765 0.81 TAS2R14 (0.37) TAS2R14MRGPRX4HCRTR2HCRTR1P2RX7
SCHEMBL30748265 0.81 TAS2R14 (0.37) TAS2R14MRGPRX4HCRTR2HCRTR1P2RX7
SCHEMBL1132769 0.81 TAS2R14 (0.37) TAS2R14MRGPRX4HCRTR2HCRTR1P2RX7

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
EP-1267617-B1 FUNGICIDAL METHOD HERCULES INC (US) 2005-02-09 EP claimed