SCHEMBL9048541

SCHEMBL9048541

CCOCn1c(C(F)(F)F)nc(C(=O)OCC)c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.46
ALDH1A1 P00352 9/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP3A4 P08684 2/20 0.45
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
TARBP2 Q15633 1/20 0.44
NPSR1 Q6W5P4 4/20 0.43
TSHR P16473 3/20 0.43
GAA P10253 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 5/20 0.43
KDM4E B2RXH2 4/20 0.43
HSD17B10 Q99714 2/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
CYP1A2 P05177 2/20 0.43
CA1 P00915 1/20 0.43

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
SCHEMBL9046935 0.83 CYP1A2 (0.52) ALDH1A1CYP2C9CYP2C19CYP3A4NPSR1
SCHEMBL32691488 0.77 ALDH1A1 (0.50) CYP19A1ALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL6274152 0.73 GABRA2 (0.59) CYP19A1ALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL3494358 0.71 ALDH1A1 (0.54) CYP19A1ALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL30835648 0.70 ALDH1A1 (0.46) CYP19A1ALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL3491977 0.70 ALDH1A1 (0.53) CYP19A1ALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL3491954 0.70 ALDH1A1 (0.53) CYP19A1ALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL2783087 0.70 MAPK1 (0.49) ALDH1A1CYP2C9CYP2C19NPSR1KMT2A
SCHEMBL10057637 0.70 ALDH1A1 (0.55) CYP19A1ALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL10172623 0.69 ALDH1A1 (0.52) CYP19A1ALDH1A1CYP2C9CYP2C19CYP3A4

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-0712847-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND PEST CONTROL DRUG NIPPON SODA CO., LTD. (JP) 1996-05-22 EP disclosed