SCHEMBL9119019

SCHEMBL9119019

Fc1cccc(F)c1OCC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
THRB P10828 1/20 0.38
G6PD P11413 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GPR3 P46089 1/20 0.35
SCN9A Q15858 2/20 0.34
SCN5A Q14524 1/20 0.34
ACLY P53396 1/20 0.34
LMNA P02545 4/20 0.33
HTT P42858 3/20 0.33

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
SCHEMBL15292531 0.80 NUDT1 (0.35) MEN1KMT2AL3MBTL1SCN9AKDM1A
SCHEMBL28345439 0.79 HSPB1 (0.46) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL28697944 0.77 L3MBTL1 (0.42) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL14956297 0.76 KMT2A (0.47) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL29635641 0.76 L3MBTL1 (0.48) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL10499330 0.76 L3MBTL1 (0.48) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL16280979 0.76 SCN4A (0.47) ALDH1A1SCN9ASCN5ALMNATSHR
SCHEMBL5426463 0.74 MAPT (0.43) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL1496766 0.74 MAPT (0.59) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL17465569 0.74 MAPT (0.39) MAPTMEN1KMT2AL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7033702-A None JP disclosed
JP-7033702-A None JP disclosed
JP-H0733702-A 4-(2,2,2-TRIFULUOROETHOXY)-3,5-DIFLUOROBENZENE DERIVETIVE DAINIPPON INK & CHEM INC 1995-02-03 JP disclosed
JP-H0733702-A 4-(2,2,2-TRIFULUOROETHOXY)-3,5-DIFLUOROBENZENE DERIVETIVE DAINIPPON INK & CHEM INC 1995-02-03 JP disclosed