SCHEMBL7766112

SCHEMBL7766112

Fc1cc(Br)cc(F)c1OCC(F)(F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.35
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
SCN9A Q15858 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL5426463 0.84 MAPT (0.43) MAPTKMT2AMAPK1HTTNPSR1
SCHEMBL12144491 0.78 MAPT (0.53) MAPTKMT2AMAPK1HTTNPSR1
SCHEMBL7769819 0.78 MAPT (0.42) MAPTKMT2AMAPK1HTTNPSR1
SCHEMBL7767153 0.73 MAPT (0.41) MAPTKMT2AMAPK1HTTNPSR1
SCHEMBL3800127 0.71 MAPT (0.45) MAPTKMT2AMAPK1HTTNPSR1
SCHEMBL7765182 0.69 MAPT (0.41) MAPTKMT2AMAPK1HTTNPSR1
SCHEMBL2836683 0.69 NSD2 (0.38) MAPTSCN9A
SCHEMBL6558034 0.69 MAPT (0.36) MAPTKMT2A
SCHEMBL28819149 0.69 MAPT (0.36) MAPTKMT2A
SCHEMBL7762488 0.68 KDM4E (0.41) MAPTTSHR

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-0727428-B1 Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions SHINETSU CHEMICAL CO (JP) 2001-06-06 EP disclosed
US-5665271-A Silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-09-09 US disclosed
EP-0727428-A1 Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-08-21 EP disclosed