SCHEMBL8912307

SCHEMBL8912307

CCC(C)COc1ccccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.52
JAK2 O60674 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
TLR8 Q9NR97 1/20 0.48
MCHR1 Q99705 1/20 0.48
TSHR P16473 2/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
TP53 P04637 1/20 0.45
FFAR1 O14842 1/20 0.44
IGF1R P08069 1/20 0.44
APP P05067 1/20 0.42
ALDH1A1 P00352 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 1/20 0.39
AGTR1 P30556 1/20 0.39

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
SCHEMBL8912301 1.00 GAA (0.52) GAAJAK2LMNAMAPTTLR8
SCHEMBL5649980 0.86 TLR8 (0.54) LMNATLR8MCHR1TSHRFFAR1
SCHEMBL10767910 0.84 GAA (0.55) GAAJAK2LMNAMAPTTSHR
SCHEMBL79322 0.83 GAA (0.53) GAAJAK2LMNAMAPTTSHR
SCHEMBL77820 0.82 GAA (0.57) GAAJAK2LMNAMAPTTLR8
SCHEMBL14181121 0.81 LMNA (0.52) GAAJAK2LMNAMAPTTSHR
SCHEMBL29625318 0.81 LMNA (0.57) GAAJAK2LMNAMAPTTSHR
SCHEMBL6698929 0.81 LMNA (0.57) GAAJAK2LMNAMAPTTSHR
SCHEMBL10349822 0.81 TLR8 (0.50) LMNATLR8MCHR1TSHRFFAR1
SCHEMBL9521564 0.81 GAA (0.56) GAAJAK2LMNAMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE35462-E Silylated benzoic acid derivatives CONSORTIUM FUR ELEKOCHEMISCHE IND. GMBH (DE) 1997-02-25 US disclosed
EP-0325035-B1 LIQUID CRYSTAL COMPOUND AND METHOD OF MANUFACTURING THE SAME, LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME AND LIQUID CRYSTAL DISPLAY DEVICE KABUSHIKI KAISHA TOSHIBA (JP) 1993-08-18 EP disclosed
US-5106530-A Liquid crystals Consortium Fur Elektrochemische Ind. (DE) 1992-04-21 US disclosed
US-4976887-A Optically active liquid crystal compound and method of manufacturing the same, liquid crystal composition containing the same and liquid crystal display device KABUSHIKI KAISHA TOSHIBA (JP) 1990-12-11 US disclosed