SCHEMBL28168533

SCHEMBL28168533

Nc1c(CC2CO2)cccc1OCC1CO1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
GLA P06280 1/20 0.53
TP53 P04637 3/20 0.47
TSHR P16473 3/20 0.47
HIF1A Q16665 2/20 0.47
CYP3A4 P08684 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 3/20 0.36
PKM P14618 3/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
PPARG P37231 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
SLC6A2 P23975 2/20 0.34
HTR2A P28223 2/20 0.34
SLC6A4 P31645 2/20 0.34

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
SCHEMBL1129712 0.83 ALDH1A1 (0.64) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL19859435 0.83 ALDH1A1 (0.54) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL9334095 0.82 ALDH1A1 (0.57) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL5599036 0.82 ALDH1A1 (0.50) ALDH1A1GLATP53TSHRHIF1A
Ammonia Solution, Strong SCHEMBL10520162 0.81 ALDH1A1 (0.53) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL28175014 0.80 ALDH1A1 (0.44) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL28250623 0.79 ALDH1A1 (0.44) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL14397632 0.78 ALDH1A1 (0.55) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL283604 0.78 ALDH1A1 (0.55) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL18812765 0.76 ALDH1A1 (0.67) 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
CN-107112221-A Dicing tape 电化株式会社 2017-08-29 CN disclosed