SCHEMBL28072769

SCHEMBL28072769

C=C(C)C(=O)OCCCCCCOc1ccc(Oc2ccc(Oc3ccc(Oc4ccc(OCCCCCCOC(=O)C(=C)C)cc4)cc3)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.76
POLB P06746 1/20 0.76
APEX1 P27695 1/20 0.76
TDP1 Q9NUW8 1/20 0.76
TSHR P16473 3/20 0.57
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.50
LTA4H P09960 4/20 0.46
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
TP53 P04637 1/20 0.44
PPARA Q07869 1/20 0.43
PLA2G4B P0C869 1/20 0.43
THRB P10828 1/20 0.42

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
SCHEMBL14173281 0.95 HTT (0.68) HTTPOLBAPEX1TDP1TSHR
SCHEMBL14173280 0.95 HTT (0.68) HTTPOLBAPEX1TDP1TSHR
SCHEMBL13220831 0.90 HTT (0.76) HTTPOLBAPEX1TDP1TSHR
SCHEMBL16982216 0.90 HTT (0.76) HTTPOLBAPEX1TDP1TSHR
SCHEMBL13289974 0.90 HTT (0.76) HTTPOLBAPEX1TDP1TSHR
SCHEMBL14173271 0.90 POLB (0.61) HTTPOLBAPEX1TDP1TSHR
SCHEMBL11053172 0.90 POLB (0.61) HTTPOLBAPEX1TDP1TSHR
SCHEMBL12918799 0.89 HTT (0.74) HTTPOLBAPEX1TDP1TSHR
SCHEMBL11168834 0.89 HTT (0.74) HTTPOLBAPEX1TDP1TSHR
SCHEMBL11172057 0.89 HTT (0.74) HTTPOLBAPEX1TDP1TSHR

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
CN-105829922-B Polymer composition and the method for manufacturing ophthalmic lens using the polymer composition 依视路国际公司 2019-10-25 CN disclosed
CN-105829922-A Polymer Composition And Methods Using Said Polymer Composition To Manufacture Ophthalmic Lens 埃西勒国际通用光学公司 2016-08-03 CN disclosed