SCHEMBL2722331

SCHEMBL2722331

CCCCOC(C)OCCOCCOC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
TSHR P16473 4/20 0.50
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 2/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
CYP3A4 P08684 2/20 0.35
DGKA P23743 1/20 0.35
RARB P10826 1/20 0.35
LMNA P02545 1/20 0.34
CES2 O00748 1/20 0.34
HPGD P15428 1/20 0.34
ACHE P22303 1/20 0.34
ABCB11 O95342 1/20 0.34
ADRA2B P18089 1/20 0.34
OPRD1 P41143 1/20 0.34
SCN5A Q14524 1/20 0.34
PGR P06401 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33

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
SCHEMBL2722335 0.97 ALDH1A1 (0.57) ALDH1A1TSHRALOX15HSD17B10MAPT
SCHEMBL9150298 0.95 ALDH1A1 (0.63) ALDH1A1TSHRALOX15HSD17B10ATM
SCHEMBL9136217 0.84 THRB (0.56) ALDH1A1TSHRHSD17B10MAPTATM
SCHEMBL13523596 0.83 ALDH1A1 (0.74) ALDH1A1TSHRHSD17B10MAPTATM
SCHEMBL275015 0.83 ALDH1A1 (0.74) ALDH1A1TSHRHSD17B10MAPTATM
SCHEMBL22372 0.83 ALDH1A1 (0.74) ALDH1A1TSHRHSD17B10MAPTATM
SCHEMBL2702326 0.83 ALDH1A1 (0.74) ALDH1A1TSHRHSD17B10MAPTATM
SCHEMBL8125550 0.83 ALDH1A1 (0.74) ALDH1A1TSHRHSD17B10MAPTATM
SCHEMBL48354 0.83 ALDH1A1 (0.74) ALDH1A1TSHRHSD17B10MAPTATM
SCHEMBL6668046 0.83 ALDH1A1 (0.50) ALDH1A1TSHRALOX15HSD17B10LMNA

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
WO-2012052157-A1 DAMPING SOLUTION ADDITIVE FOR OFFSET PRINTING MACHINES DC PLUS BETEILIGUNGS GMBH (DE) 2012-04-26 WO disclosed