SCHEMBL28058378

SCHEMBL28058378

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.37
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
CHRM3 P20309 3/20 0.35
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM4 P08173 1/20 0.35
THRA P10827 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 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
Acrylic Acid Methyl Ester SCHEMBL27464307 0.84 KCNN4 (0.42) THRBALDH1A1TSHRMEN1KMT2A
Biphenyl SCHEMBL28288581 0.82 THRB (0.42) THRBALDH1A1MEN1KMT2ATHRA
Acrylic Acid SCHEMBL27520566 0.81 ALDH1A1 (0.44) ALDH1A1TSHRPOLBMEN1KMT2A
Acrylic Acid SCHEMBL27648043 0.81 ALDH1A1 (0.44) ALDH1A1TSHRPOLBMEN1KMT2A
Benzene SCHEMBL28734472 0.81 TSHR (0.41) THRBALDH1A1TSHRMEN1KMT2A
Phenol SCHEMBL4842511 0.80 THRB (0.41) THRBALDH1A1TSHRMEN1KMT2A
Diphenylether SCHEMBL28795906 0.79 THRB (0.47) THRBALDH1A1TSHRHTTSMN1; SMN2
Benzene SCHEMBL29137114 0.78 LMNA (0.40) THRBALDH1A1TSHRMEN1KMT2A
Propene SCHEMBL27608784 0.76 KDM4E (0.42) ALDH1A1TSHRHTTSMN1; SMN2KDM4E
Benzene SCHEMBL27461053 0.76 CYP2C19 (0.47) ALDH1A1POLBMEN1KMT2AHTT

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-105579416-A Reaction resin mortar that can be cured by means of frontal polymerization and method for fastening anchor rods HILTI AG 2016-05-11 CN disclosed