SCHEMBL19612271

SCHEMBL19612271

COc1c(OCC2CO2)cccc1OCC1CO1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
GLA P06280 1/20 0.64
TP53 P04637 3/20 0.53
TSHR P16473 3/20 0.53
HIF1A Q16665 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CYP3A4 P08684 1/20 0.53
DRD4 P21917 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
ADRA2C P18825 1/20 0.47
PKM P14618 2/20 0.45
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.44
PPARG P37231 1/20 0.44
PTPN1 P18031 2/20 0.41
ACHE P22303 1/20 0.41
HTR1A P08908 4/20 0.41

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
SCHEMBL11364007 0.97 ALDH1A1 (0.60) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL19612508 0.90 ALDH1A1 (0.60) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL680532 0.87 ALDH1A1 (0.65) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL11593414 0.86 ALDH1A1 (0.59) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL731211 0.84 ALDH1A1 (0.72) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL9629812 0.84 ALDH1A1 (0.50) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL9629416 0.84 ALDH1A1 (0.50) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL3634571 0.84 ALDH1A1 (0.71) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL7282918 0.84 ALDH1A1 (0.71) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL93244 0.84 ALDH1A1 (0.71) ALDH1A1GLATP53TSHRHIF1A

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-20170336728-A1 ULTRAVIOLET CURABLE LIQUID COMPOSITION, ULTRAVIOLET CURING INKJET INK, ULTRAVIOLET CURING WET ELECTROPHOTOGRAPHIC LIQUID DEVELOPER, ULTRAVIOLET CURING ELECTROSTATIC INKJET INK, AND IMAGE FORMING METHOD USING THEREOF CANON KABUSHIKI KAISHA (JP) 2017-11-23 US disclosed