SCHEMBL3685382

SCHEMBL3685382

C=C(C)C(=O)OCCCC(C)(C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
THRB P10828 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
HTT P42858 1/20 0.44
PPARA Q07869 11/20 0.43
ACLY P53396 1/20 0.42
TTR P02766 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C8 P10632 1/20 0.41
CHRM1 P11229 1/20 0.41
CYP2C9 P11712 1/20 0.41
ADRA1A P35348 1/20 0.41
PPARG P37231 1/20 0.41
HTR2B P41595 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLCO1B3 Q9NPD5 1/20 0.41
CISD1 Q9NZ45 1/20 0.41
SLCO1B1 Q9Y6L6 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
SCHEMBL12192431 0.90 THRB (0.45) TSHRTHRBTDP1POLBAPEX1
SCHEMBL26979799 0.89 THRB (0.48) TSHRTHRBTDP1POLBAPEX1
Ammonia Solution, Strong SCHEMBL19133680 0.87 THRB (0.47) TSHRTHRBTDP1POLBAPEX1
SCHEMBL30935401 0.84 TSHR (0.55) TSHRTHRBTDP1POLBAPEX1
SCHEMBL1108012 0.83 TSHR (0.58) TSHRTHRBTDP1POLBAPEX1
SCHEMBL3683652 0.83 TSHR (0.50) TSHRTHRBTDP1POLBAPEX1
SCHEMBL9610669 0.81 TSHR (0.56) TSHRTHRBTDP1POLBAPEX1
Fluoride SCHEMBL28254640 0.81 TSHR (0.56) TSHRTHRBTDP1POLBAPEX1
SCHEMBL8050479 0.81 TSHR (0.49) TSHRTHRBTDP1POLBAPEX1
SCHEMBL9835205 0.81 ALDH1A1 (0.50) TSHRTDP1PPARAACLYTTR

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-2162419-A1 METHOD FOR PRODUCING ETHYLENE GLYCOL DIMETHACRYLATE Evonik Röhm GmbH (DE) 2010-03-17 EP disclosed
WO-2009003745-A1 METHOD FOR PRODUCING ETHYLENE GLYCOL DIMETHACRYLATE EVONIK RÖHM GMBH (DE) 2009-01-08 WO disclosed