SCHEMBL5763749

SCHEMBL5763749

C=CCCCOc1ccc(C(F)(F)F)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
THRB P10828 1/20 0.40
GABRA5 P31644 1/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SCN9A Q15858 1/20 0.38
POLB P06746 4/20 0.38
LMNA P02545 1/20 0.38
RXRA P19793 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL5793193 0.92 HPGD (0.44) HPGDMAPK1KMT2ATSHRSMN1; SMN2
SCHEMBL5077087 0.80 HPGD (0.48) HPGDMAPK1KMT2ATSHRSMN1; SMN2
SCHEMBL5079495 0.80 HPGD (0.48) HPGDMAPK1KMT2ATSHRSMN1; SMN2
SCHEMBL3159889 0.80 HPGD (0.48) HPGDMAPK1KMT2ATSHRSMN1; SMN2
SCHEMBL4699112 0.79 HPGD (0.47) HPGDMAPK1KMT2ATSHRSMN1; SMN2
SCHEMBL10274190 0.79 HPGD (0.54) HPGDMAPK1KMT2ATSHRSMN1; SMN2
SCHEMBL5076062 0.79 MRGPRX4 (0.47) HPGDMAPK1KMT2ATSHRSMN1; SMN2
SCHEMBL2127531 0.79 MRGPRX4 (0.47) HPGDMAPK1KMT2ATSHRSMN1; SMN2
SCHEMBL2127040 0.79 HPGD (0.47) HPGDMAPK1KMT2ATSHRSMN1; SMN2
SCHEMBL5079499 0.79 HPGD (0.47) HPGDMAPK1KMT2ATSHRSMN1; SMN2

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