SCHEMBL2547645

SCHEMBL2547645

C=CCC(=O)O.CC(C)(C)OC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.47
ALDH1A1 P00352 3/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP1A2 P05177 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
SLC7A5 Q01650 1/20 0.44
HIF1A Q16665 3/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 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
Acrylic Acid SCHEMBL27852803 0.83 TSHR (0.53) TDP1ALDH1A1TSHRHSD17B10CYP2C19
Ethylene SCHEMBL29086743 0.83 TSHR (0.60) TDP1ALDH1A1TSHRHSD17B10CYP2C19
SCHEMBL260960 0.83 TDP1 (0.64) TDP1ALDH1A1TSHRHSD17B10CYP2C19
SCHEMBL29199324 0.83 TDP1 (0.64) TDP1ALDH1A1TSHRHSD17B10CYP2C19
Hydrogen Peroxide SCHEMBL28425777 0.83 TDP1 (0.64) TDP1ALDH1A1TSHRHSD17B10CYP2C19
Hydrogen Peroxide SCHEMBL28474133 0.83 TDP1 (0.64) TDP1ALDH1A1TSHRHSD17B10CYP2C19
Hydrochloric Acid SCHEMBL23276979 0.81 TDP1 (0.62) TDP1ALDH1A1TSHRHSD17B10CYP2C19
SCHEMBL1389524 0.81 TDP1 (0.62) TDP1ALDH1A1TSHRHSD17B10CYP2C19
Methane SCHEMBL10956850 0.81 TDP1 (0.62) TDP1ALDH1A1TSHRHSD17B10CYP2C19
SCHEMBL6051152 0.81 TDP1 (0.62) TDP1ALDH1A1TSHRHSD17B10CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552977-A1 MULTIPLE FUNCTION GRAFT POLYMER Castrol Limited (GB) 2013-02-06 EP claimed
WO-2011123408-A1 MULTIPLE FUNCTION GRAFT POLYMER CASTROL LIMITED (GB) 2011-10-06 WO claimed