SCHEMBL15744389

SCHEMBL15744389

CC(C)c1ccc(C(F)(F)Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 4/20 0.48
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HIF1A Q16665 1/20 0.47
PDE2A O00408 3/20 0.42
TYR P14679 2/20 0.39
HTT P42858 1/20 0.37
HPGD P15428 1/20 0.36
IDO1 P14902 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MGLL Q99685 1/20 0.34
LMNA P02545 1/20 0.33
KIF11 P52732 1/20 0.33
PDK2 Q15119 1/20 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
SCHEMBL84043 0.82 PDE2A (0.53) PTPN5CYP2D6CYP2C9HIF1APDE2A
SCHEMBL12629913 0.80 PTPN5 (0.48) PTPN5CYP2D6CYP2C9HIF1APDE2A
SCHEMBL14407076 0.80 PTPN5 (0.48) PTPN5CYP2D6CYP2C9HIF1APDE2A
Ammonia Solution, Strong SCHEMBL27642816 0.80 PDE2A (0.52) PTPN5CYP2D6CYP2C9HIF1APDE2A
SCHEMBL1538742 0.79 CYP2C9 (0.50) PTPN5CYP2D6CYP2C9HIF1APDE2A
SCHEMBL24408943 0.78 PTPN5 (0.47) PTPN5CYP2D6CYP2C9HIF1APDE2A
SCHEMBL24736871 0.78 PTPN5 (0.47) PTPN5CYP2D6CYP2C9HIF1APDE2A
SCHEMBL22242853 0.78 PTPN5 (0.47) PTPN5CYP2D6CYP2C9HIF1APDE2A
SCHEMBL16105865 0.78 ESR1 (0.50) PTPN5CYP2D6CYP2C9HIF1APDE2A
SCHEMBL25467240 0.78 PTPN5 (0.47) PTPN5CYP2D6CYP2C9HIF1APDE2A

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
EP-2735599-B1 Liquid crystal compound having CF2OCF3 at terminal, liquid crystal composition and liquid crystal display device JNC CORP (JP) 2015-04-29 EP disclosed
EP-2735599-A1 Liquid crystal compound having CF2OCF3 at terminal, liquid crystal composition and liquid crystal display device JNC Corporation (JP) 2014-05-28 EP disclosed