SCHEMBL23635792

SCHEMBL23635792

CC(C)ONC(=O)OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 2/20 0.35
HCAR2 Q8TDS4 1/20 0.34
HTT P42858 1/20 0.34
GAA P10253 1/20 0.33
CA12 O43570 4/20 0.31
CA1 P00915 4/20 0.31
CA2 P00918 4/20 0.31
CA9 Q16790 4/20 0.31
CA7 P43166 3/20 0.31
CA14 Q9ULX7 3/20 0.31

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
SCHEMBL441968 0.81 TSHR (0.46) TSHRHPGDSMN1; SMN2NPC1CYP1A2
SCHEMBL9073436 0.81
SCHEMBL16805895 0.79
SCHEMBL1134094 0.76
SCHEMBL7251315 0.75 TSHR (0.40) TSHRHPGDSMN1; SMN2NPC1CYP1A2
SCHEMBL18668900 0.75 TSHR (0.52) TSHRHPGDSMN1; SMN2NPC1CYP1A2
SCHEMBL17151385 0.75 TSHR (0.40) TSHRHPGDSMN1; SMN2NPC1CYP1A2
SCHEMBL24307653 0.75 LAP3 (0.37) TSHRHPGDSMN1; SMN2NPC1CYP1A2
SCHEMBL143364 0.75 TSHR (0.50) TSHRHPGDSMN1; SMN2NPC1CYP1A2
SCHEMBL11437545 0.75 TSHR (0.50) TSHRHPGDSMN1; SMN2NPC1CYP1A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109983003-B Diaryl pyrazole compound and pest control agent 日本曹达株式会社 2022-06-03 CN disclosed
US-20210214726-A1 Peptide Docking Vehicle for Targeted Nucleic Acid Delivery SIRNAOMICS, INC. 2021-07-15 US disclosed
CN-107635967-B Diaryl azole compound and pest control agent 日本曹达株式会社 2021-03-26 CN disclosed
CN-109983003-A Diaryl pyrazole azole compounds and noxious organism control agent 日本曹达株式会社 2019-07-05 CN disclosed
CN-107635967-A Diaryl azole compound and pest control agent 日本曹达株式会社 2018-01-26 CN disclosed