SCHEMBL9769706

SCHEMBL9769706

C=CCOc1cc(NC(=O)C2CCCCC2C(=O)OCC)c(F)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPOX P50336 8/20 0.43
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
GLA P06280 1/20 0.41
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.37
CNR2 P34972 1/20 0.35
CYP2C19 P33261 2/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL9769699 0.83 PPOX (0.46) PPOXTAS1R3TAS1R1GLATSHR
SCHEMBL9769666 0.83 RAB9A (0.44) TAS1R3TAS1R1GLATSHRHTT
SCHEMBL9769759 0.74 TSHR (0.40) PPOXTAS1R3TAS1R1GLATSHR
SCHEMBL7922423 0.71 SCN9A (0.48) PPOXTSHRRECQLCYP2C19LMNA
SCHEMBL8687523 0.70 LMNA (0.42) PPOXHTTLMNAMAPTALDH1A1
SCHEMBL7891339 0.68 RECQL (0.42) RECQLCYP2C19LMNAMAPTMEN1
SCHEMBL10338447 0.67 PPOX (0.37) PPOXTAS1R3TAS1R1TSHRHTT
SCHEMBL9620075 0.67 SCN9A (0.41) PPOXRECQL
SCHEMBL9837229 0.66 KDM4E (0.48) PPOXCYP2C19MAPK1LMNAMAPT
SCHEMBL9426916 0.65 MEN1 (0.52) PPOXTSHRMAPK1LMNAMAPT

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
US-5068365-A Herbicides TOSOH CORPORATION (JP) 1991-11-26 US disclosed
EP-0326764-A2 Hexahydrophthalic anilide derivatives and herbicide compositions containing the same Tosoh Corporation (JP) 1989-08-09 EP disclosed