SCHEMBL19985495

SCHEMBL19985495

CCCCCC1CCC(c2ccc(-c3ccc(OC)c(F)c3F)c(F)c2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
FPR2 P25090 6/20 0.35
CNR2 P34972 3/20 0.34
ACHE P22303 1/20 0.33
HTR4 Q13639 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
DRD2 P14416 1/20 0.32
LYPLA1 O75608 1/20 0.32
LYPLA2 O95372 1/20 0.32
ABHD16A O95870 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 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
SCHEMBL19985501 0.99 GAA (0.38) MAPTGAAFPR2CNR2ACHE
SCHEMBL19985518 0.99 GAA (0.38) MAPTGAAFPR2CNR2ACHE
SCHEMBL19985516 0.99 GAA (0.38) MAPTGAAFPR2CNR2ACHE
SCHEMBL19985479 0.96 FPR2 (0.36) MAPTGAAFPR2CNR2ACHE
SCHEMBL9405800 0.95 MAPT (0.36) MAPTGAACNR2ACHEHTR4
SCHEMBL19253467 0.95 MAPT (0.36) MAPTGAACNR2ACHEHTR4
SCHEMBL12733617 0.95 MAPT (0.36) MAPTGAACNR2ACHEHTR4
SCHEMBL8934938 0.94 FPR2 (0.36) MAPTGAAFPR2CNR2ACHE
SCHEMBL8935029 0.93 GAA (0.36) MAPTGAAFPR2CNR2TRPV1
SCHEMBL17736127 0.91 CNR2 (0.34) MAPTGAACNR2ACHEHTR4

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
US-20180079959-A1 LIQUID CRYSTAL ELEMENT WITH NEGATIVE DIELECTRIC ANISOTROPY DIC CORPORATION (JP) 2018-03-22 US disclosed