SCHEMBL10427136

SCHEMBL10427136

C=C(C)C(=O)OCCSCCCCSCCOC(=O)C(=C)C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
THRB P10828 2/20 0.50
POLB P06746 2/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 3/20 0.39
CES2 O00748 1/20 0.34
ACHE P22303 3/20 0.31
GMNN O75496 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
BLM P54132 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL29940900 0.98 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL10427163 0.96 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL212008 0.94 THRB (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL14993242 0.92 TSHR (0.63) TSHRTHRBPOLBAPEX1HTT
SCHEMBL670913 0.92 THRB (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL673043 0.92 THRB (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL671674 0.92 THRB (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL11420004 0.91 TSHR (0.69) TSHRTHRBPOLBAPEX1HTT
SCHEMBL7646477 0.91 TSHR (0.69) TSHRTHRBPOLBAPEX1HTT
SCHEMBL491146 0.91 TSHR (0.69) TSHRTHRBPOLBAPEX1HTT

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
US-4939218-A Sulfur-containing aliphatic acrylic compound, crosslinked polymer article, and lens MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1990-07-03 US disclosed