SCHEMBL2721241

SCHEMBL2721241

CCCCOC(C)COCCCOC(C)CO

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.42
LPAR1 Q92633 4/20 0.38
LPAR3 Q9UBY5 4/20 0.38
LPAR2 Q9HBW0 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
HTT P42858 2/20 0.37
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
TLR2 O60603 1/20 0.33
PLA2G2C Q5R387 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
SCHEMBL28824140 0.89 TSHR (0.47) TDP1USP2TSHRLPAR1LPAR3
Ethylene Glycol SCHEMBL6756784 0.89 TDP1 (0.50) TDP1USP2TSHRLPAR1LPAR3
SCHEMBL80455 0.88 TDP1 (0.52) TDP1USP2TSHRLPAR1LPAR3
SCHEMBL10608964 0.87 TDP1 (0.48) TDP1USP2TSHRLPAR1LPAR3
SCHEMBL15375 0.86 TDP1 (0.42) TDP1USP2TSHRLPAR1LPAR3
SCHEMBL548999 0.86 TDP1 (0.42) TDP1USP2TSHRLPAR1LPAR3
SCHEMBL1900015 0.86 TDP1 (0.42) TDP1USP2TSHRLPAR1LPAR3
SCHEMBL11133571 0.86 TDP1 (0.42) TDP1USP2TSHRLPAR1LPAR3
SCHEMBL1900360 0.86 TDP1 (0.42) TDP1USP2TSHRLPAR1LPAR3
SCHEMBL1901968 0.86 TDP1 (0.42) TDP1USP2TSHRLPAR1LPAR3

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