SCHEMBL28022169

SCHEMBL28022169

C=C(C)C(=O)OCCCc1c[c]cc(C(C)(C)C)c1O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
THRB P10828 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL27740566 0.92 THRB (0.39) TSHRPOLBAPEX1HTTTDP1
SCHEMBL28222132 0.82 POLB (0.40) TSHRPOLBAPEX1HTTTDP1
SCHEMBL10548922 0.76 GAA (0.50) TSHRPOLBAPEX1HTTTDP1
SCHEMBL28143416 0.75 TDP1 (0.42) TSHRPOLBAPEX1HTTTDP1
SCHEMBL27761138 0.74 TSHR (0.39) TSHRTHRBALDH1A1
Hydrochloric Acid SCHEMBL9682193 0.73 POLB (0.38) TSHRPOLBAPEX1HTTTDP1
SCHEMBL27488301 0.72 TSHR (0.44) TSHRPOLBAPEX1HTTTDP1
SCHEMBL18124228 0.70 GAA (0.48) TSHRHTTTDP1THRBALDH1A1
SCHEMBL11648102 0.69 TDP1 (0.44) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17430700 0.69 THRB (0.51) TSHRPOLBAPEX1HTTTDP1

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-105536882-A Photocatalyst-coated body and photocatalyst coating liquid TOTO LTD 2016-05-04 CN disclosed
CN-104812735-A Semicarbazide composition, method for producing semicarbazide composition, aqueous resin composition, and composite ASAHI KASEI CHEMICALS CORP 2015-07-29 CN disclosed