SCHEMBL28017113

SCHEMBL28017113

Cc1cc(C(C)C=O)ccc1OC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 2/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
ALDH1A3 P47895 1/20 0.34
PDE4B Q07343 1/20 0.33
FFAR4 Q5NUL3 2/20 0.33
FFAR1 O14842 1/20 0.33
CSNK2A1 P68400 2/20 0.33
RORC P51449 1/20 0.33
ACHE P22303 1/20 0.33
ACACB O00763 2/20 0.32

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
SCHEMBL3365122 0.80 LMNA (0.47) MAPTCYP1A2CYP2C9CYP2C19TSHR
SCHEMBL27711085 0.77 LMNA (0.39) TSHRALDH1A1HPGDLMNA
SCHEMBL19987531 0.77 UGT2B7 (0.41) MAPTCYP1A2CYP2C9CYP2C19TSHR
SCHEMBL28791674 0.77 CHRNA1 (0.37) MAPTCYP1A2CYP2C9CYP2C19TSHR
SCHEMBL10361088 0.77 CSNK2A1 (0.39) MAPTCYP1A2CYP2C9CYP2C19TSHR
SCHEMBL16960369 0.77 TSHR (0.37) MAPTCYP1A2CYP2C9CYP2C19TSHR
SCHEMBL8886054 0.76 LMNA (0.40) TSHRHTR2AHTR2CHTR2BALDH1A1
SCHEMBL28017111 0.76 TSHR (0.44) MAPTTSHRHTR2AHTR2CHTR2B
SCHEMBL16951062 0.76 MAPT (0.37) MAPTCYP1A2CYP2C9CYP2C19TSHR
SCHEMBL12476044 0.75 ALDH1A3 (0.53) MAPTCYP1A2CYP2C9CYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104684909-B Terazololine-one compound and the purposes as insecticide thereof 住友化学株式会社 2016-10-12 CN disclosed
CN-104684908-B Terazololine-one compound and the purposes as insecticide thereof 住友化学株式会社 2016-09-28 CN disclosed
CN-104684909-A Tetrazolinone compounds and their use as pesticides SUMITOMO CHEMICAL CO 2015-06-03 CN disclosed
CN-104684908-A Tetrazolinone compounds and their use as pesticides SUMITOMO CHEMICAL CO 2015-06-03 CN disclosed