SCHEMBL7640840

SCHEMBL7640840

COC=C(COc1cccc(C(F)(F)F)n1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.38
HCRTR2 O43614 5/20 0.35
HCRTR1 O43613 4/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA3 P34903 1/20 0.35
HTR1A P08908 2/20 0.35
PLK4 O00444 1/20 0.34
DYRK3 O43781 1/20 0.34
MAP4K4 O95819 1/20 0.34
CDK1 P06493 1/20 0.34
RET P07949 1/20 0.34
ROS1 P08922 1/20 0.34
FGFR1 P11362 1/20 0.34
FER P16591 1/20 0.34
FLT1 P17948 1/20 0.34
FGFR3 P22607 1/20 0.34
CDK2 P24941 1/20 0.34
KDR P35968 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
SCHEMBL159065 0.89 P2RX7 (0.40) P2RX7HCRTR2HCRTR1GABRA1GABRG2
SCHEMBL28738711 0.83 PPARG (0.35) P2RX7HCRTR2HCRTR1SYKTAS2R14
SCHEMBL32682038 0.80 KMT2A (0.46) P2RX7LOXL2TAS2R14
SCHEMBL22397018 0.80 KMT2A (0.46) P2RX7LOXL2TAS2R14
SCHEMBL17117512 0.78 P2RX7 (0.45) P2RX7HCRTR2HCRTR1GABRA1GABRG2
SCHEMBL1132769 0.76 TAS2R14 (0.37) P2RX7HCRTR2HCRTR1SYKTAS2R14
SCHEMBL30748265 0.76 TAS2R14 (0.37) P2RX7HCRTR2HCRTR1SYKTAS2R14
SCHEMBL1132765 0.76 TAS2R14 (0.37) P2RX7HCRTR2HCRTR1SYKTAS2R14
SCHEMBL17109775 0.76 P2RX7 (0.43) P2RX7HCRTR2HCRTR1HTR1AKCNH2
SCHEMBL20427990 0.75 P2RX7 (0.42) P2RX7HCRTR2HCRTR1HTR1ARXRA

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
US-6469005-B1 CONTROLLING AND PROTECTING AGAINST PHYTOPATHOGENIC MICROORGANISMS SYNGENTA PARTICIPATIONS AG (CH) 2002-10-22 US disclosed