SCHEMBL14526552

SCHEMBL14526552

CCCC1CCC(C2CCc3c(ccc(F)c3F)C2)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
TLR4 O00206 2/20 0.36
DRD2 P14416 9/20 0.36
DRD3 P35462 6/20 0.36
HTR1A P08908 3/20 0.33
HTR7 P34969 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 2/20 0.32
PMP22 Q01453 2/20 0.32
GLA P06280 1/20 0.32
APEX1 P27695 1/20 0.32
KMT2A Q03164 1/20 0.32
DRD1 P21728 1/20 0.31

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
SCHEMBL14525847 1.00 HTR1D (0.40) HTR1DHTR1BTLR4DRD2DRD3
SCHEMBL14526572 0.91 DRD2 (0.38) HTR1DHTR1BDRD2DRD3HTR1A
SCHEMBL14228685 0.91 HTR1D (0.38) HTR1DHTR1BTLR4DRD2DRD3
SCHEMBL1142357 0.89 TLR4 (0.36) HTR1DHTR1BTLR4DRD2DRD3
SCHEMBL18137089 0.88 HTR1D (0.34) HTR1DHTR1BDRD2DRD3
SCHEMBL14526555 0.88 TLR4 (0.36) HTR1DHTR1BTLR4DRD2DRD3
SCHEMBL14525717 0.88 HTR1D (0.39) HTR1DHTR1BTLR4DRD2DRD3
SCHEMBL14526576 0.88 TLR4 (0.36) HTR1DHTR1BTLR4DRD2DRD3
SCHEMBL14526584 0.86 HTR1D (0.35) HTR1DHTR1BTLR4DRD2DRD3
SCHEMBL14526560 0.86 HTR1D (0.35) HTR1DHTR1BTLR4DRD2DRD3

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
US-7198827-B1 Nematic liquid crystal composition and liquid crystal display device using the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-04-03 US disclosed
US-7198827-B1 Nematic liquid crystal composition and liquid crystal display device using the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-04-03 US disclosed