SCHEMBL9570676

SCHEMBL9570676

OCC(c1cccc(C(F)(F)F)c1)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.56
ACP3 P15309 4/20 0.47
CES2 O00748 2/20 0.47
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM3 P20309 1/20 0.42
MGLL Q99685 1/20 0.42
IDH2 P48735 1/20 0.41

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
SCHEMBL23125123 0.80 ACP3 (0.50) PNMTACP3CES2IDO1TDO2
SCHEMBL6540783 0.80 PNMT (0.72) PNMTACP3CES2IDO1TDO2
SCHEMBL16951957 0.80 PNMT (0.57) PNMTACP3CES2IDO1TDO2
SCHEMBL16412856 0.80 PNMT (0.72) PNMTACP3CES2IDO1TDO2
SCHEMBL9570758 0.80 HDAC4 (0.42) CES2IDO1TDO2SLC6A2SLC6A4
SCHEMBL29256522 0.80 PNMT (0.72) PNMTACP3CES2IDO1TDO2
SCHEMBL9570685 0.80 ACP3 (0.41) ACP3SLC6A2SLC6A4MEN1KMT2A
SCHEMBL18793794 0.79 PNMT (0.60) PNMTACP3CES2IDO1TDO2
SCHEMBL3597789 0.79 PNMT (0.60) PNMTACP3CES2IDO1TDO2
SCHEMBL3597792 0.79 PNMT (0.60) PNMTACP3CES2IDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0545891-A2 Aldehyde compounds and derivatives thereof useful as intermediates in the preparation of insectical ether compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-06-09 EP disclosed
US-4840971-A INSECTICIDES, MITICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-06-20 US disclosed
EP-0240978-A2 Ether compounds, process for their preparation, compositions containing the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-10-14 EP disclosed