SCHEMBL5764034

SCHEMBL5764034

C=C(C)CCOc1ccc(C(F)(F)F)cn1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.44
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.41
GABRA5 P31644 1/20 0.41
LIPE Q05469 4/20 0.39
THRB P10828 1/20 0.39
SCN9A Q15858 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 2/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL3940686 0.80 MRGPRX4 (0.53) HPGDMAPK1MRGPRX4LMNAKMT2A
SCHEMBL13481259 0.79 HPGD (0.55) HPGDMAPK1TSHRSMN1; SMN2MRGPRX4
SCHEMBL831499 0.79 MRGPRX4 (0.48) HPGDMAPK1TSHRSMN1; SMN2MRGPRX4
SCHEMBL10848575 0.79 MRGPRX4 (0.49) HPGDMAPK1TSHRSMN1; SMN2MRGPRX4
SCHEMBL4688851 0.79 KMT2A (0.51) HPGDMAPK1TSHRSMN1; SMN2MRGPRX4
SCHEMBL19122065 0.78 KDM4E (0.40) TSHRSMN1; SMN2L3MBTL1ALDH1A1MAPT
SCHEMBL10274190 0.78 HPGD (0.54) HPGDMAPK1TSHRSMN1; SMN2MRGPRX4
SCHEMBL2127531 0.78 MRGPRX4 (0.47) HPGDMAPK1TSHRSMN1; SMN2MRGPRX4
SCHEMBL21678024 0.78 PPARA (0.48) KMT2AALDH1A1
SCHEMBL5077085 0.77 HPGD (0.49) HPGDMAPK1TSHRSMN1; SMN2MRGPRX4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638962-A2 SUBSTITUTED OXYARENES UND DEREN VERWENDUNG ZUR BEKÄMPFUNG VON SCHÄDLINGEN Bayer CropScience AG (DE) 2006-03-29 EP disclosed
WO-2004099197-A2 SUBSTITUTED OXYARENES, AND USE THEREOF FOR CONTROLLING PESTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-11-18 WO disclosed