SCHEMBL13328512

SCHEMBL13328512

CCCC1CCC(C2CCC(c3cc4ccc(OC)c(F)c4c(F)c3F)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.37
SLC6A2 P23975 9/20 0.32
SLC6A4 P31645 9/20 0.32
SLC6A3 Q01959 8/20 0.32
ACHE P22303 1/20 0.31
HTR4 Q13639 1/20 0.31
HTR2A P28223 1/20 0.31
CYP2C9 P11712 1/20 0.31
CTSD P07339 1/20 0.31
DRD2 P14416 1/20 0.30
LMNA P02545 1/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL13328593 0.96 ALDH1A1 (0.39) ALDH1A1MAPTHTTSLC6A2SLC6A4
SCHEMBL6457254 0.90 ALDH1A1 (0.33) ALDH1A1MAPTHTTSLC6A2SLC6A4
SCHEMBL6457259 0.90 ALDH1A1 (0.33) ALDH1A1MAPTHTTSLC6A2SLC6A4
SCHEMBL13328515 0.90 ALDH1A1 (0.31) ALDH1A1MAPTHTTCYP2C9
SCHEMBL14494615 0.89 HTR2C (0.33) ALDH1A1MAPTHTTHTR2ACYP2C9
SCHEMBL12018648 0.87 HTR2A (0.34) SLC6A2SLC6A4SLC6A3HTR2ADRD2
SCHEMBL16772308 0.86 KDM1A (0.32) ALDH1A1MAPTHTTHTR2ACYP2C9
SCHEMBL171999 0.84 TSHR (0.32) SLC6A2SLC6A4SLC6A3MAPK1
SCHEMBL18134229 0.84 ALDH1A1 (0.39) ALDH1A1MAPTHTTACHEHTR4
SCHEMBL8072011 0.84 ALDH1A1 (0.39) ALDH1A1MAPTHTTACHEHTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718232-B2 Nematic liquid crystal composition and liquid crystal display element that used the composition DAINIPPON INK & CHEMICAL, INC. (JP) 2010-05-18 US disclosed
US-7718232-B2 Nematic liquid crystal composition and liquid crystal display element that used the composition DAINIPPON INK & CHEMICAL, INC. (JP) 2010-05-18 US disclosed
EP-1591513-B1 NEMATIC LIQUID-CRYSTAL COMPOSITION AND LIQUID-CRYSTAL DISPLAY ELEMENT EMPLOYING THE SAME DAINIPPON INK & CHEMICALS (JP) 2008-07-02 EP disclosed
US-20080149889-A1 Nematic Liquid Crystal Composition and Liquid Crystal Display Element That Used the Composition DAINIPPON INK AND CHEMICALS, INC. (JP) 2008-06-26 US disclosed
US-20080149889-A1 Nematic Liquid Crystal Composition and Liquid Crystal Display Element That Used the Composition DAINIPPON INK AND CHEMICALS, INC. (JP) 2008-06-26 US disclosed