SCHEMBL28017111

SCHEMBL28017111

Cc1cc(C(C)C(=O)C(C)c2ccc(OC(C)C)c(C)c2)ccc1OC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
AKR1C3 P42330 3/20 0.41
AKR1C2 P52895 3/20 0.41
RORC P51449 1/20 0.39
FFAR4 Q5NUL3 2/20 0.38
FFAR1 O14842 1/20 0.38
IRAK4 Q9NWZ3 2/20 0.38
ACACB O00763 2/20 0.37
ACACA Q13085 2/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL27820993 0.87 TSHR (0.42) TSHRHTR2AHTR2CHTR2BAKR1C3
SCHEMBL19987531 0.80 UGT2B7 (0.41) TSHRHTR2AHTR2CHTR2BRORC
SCHEMBL3365122 0.80 LMNA (0.47) TSHRHTR2AHTR2CHTR2BALDH1A1
SCHEMBL19557769 0.78 TSHR (0.40) TSHRHTR2AHTR2CHTR2BRORC
SCHEMBL27711084 0.77 TDP1 (0.44) AKR1C3AKR1C2SMN1; SMN2HPGDLMNA
SCHEMBL16960369 0.77 TSHR (0.37) TSHRHTR2AHTR2CHTR2BRORC
SCHEMBL10361088 0.77 CSNK2A1 (0.39) TSHRHTR2AHTR2CHTR2BIRAK4
SCHEMBL28791672 0.77 CHRNA1 (0.44) AKR1C3AKR1C2ALDH1A1MAPTSMN1; SMN2
SCHEMBL28017113 0.76 MAPT (0.41) TSHRHTR2AHTR2CHTR2BRORC
SCHEMBL27949094 0.75 TSHR (0.48) TSHRHTR2AHTR2CHTR2BALDH1A1

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