SCHEMBL13628958

SCHEMBL13628958

BCC(CO)c1ccc(C)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.37
ACHE P22303 3/20 0.36
TDP1 Q9NUW8 1/20 0.35
STAT3 P40763 1/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TRPA1 O75762 3/20 0.32
ALOX5 P09917 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
HCRTR2 O43614 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
FFAR1 O14842 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
SCHEMBL205612 0.86 CHRNA7 (0.42) CHRNA7ACHETDP1STAT3GAA
SCHEMBL16979038 0.80 ESR1 (0.44) CHRNA7ACHETDP1STAT3GAA
SCHEMBL28156960 0.78 ALDH1A1 (0.40) CHRNA7ACHETDP1STAT3GAA
SCHEMBL28156959 0.78 ALDH1A1 (0.40) CHRNA7ACHETDP1STAT3GAA
SCHEMBL28830455 0.75 CHRNA7 (0.39) CHRNA7ACHETDP1STAT3GAA
SCHEMBL16327095 0.75 CHRNA7 (0.43) CHRNA7ACHETDP1LMNASMN1; SMN2
SCHEMBL28830454 0.75 CHRNA7 (0.39) CHRNA7ACHETDP1STAT3GAA
SCHEMBL8186503 0.73 ALDH1A1 (0.47) CHRNA7ACHETDP1ALDH1A1LMNA
SCHEMBL14183097 0.73 CHRNA7 (0.39) CHRNA7ACHETDP1STAT3GAA
P-Xylene SCHEMBL9064050 0.73 CHRNA7 (0.39) CHRNA7ACHETDP1STAT3GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2124076-A1 Birefringent pattern builder and laminated structure material for preventing forgery Fujifilm Corporation (JP) 2009-11-25 EP disclosed
EP-2113807-A2 Optical material having a colored optically anisotropic layer Fujifilm Corporation (JP) 2009-11-04 EP disclosed
EP-1975685-A1 LIQUID CRYSTAL CELL SUBSTRATE FABRICATION METHOD, LIQUID CRYSTAL CELL SUBSTRATE, AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM Corporation (JP) 2008-10-01 EP disclosed