SCHEMBL28047449

SCHEMBL28047449

COc1c(Br)cccc1Cc1ccc(C(=O)O)cc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.46
HIF1A Q16665 1/20 0.46
TSHR P16473 1/20 0.43
KMT2A Q03164 3/20 0.42
HSD17B10 Q99714 1/20 0.41
TPMT P51580 2/20 0.40
MEN1 O00255 1/20 0.40
PPARG P37231 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PYGL P06737 1/20 0.39
PLA2G4A P47712 2/20 0.39
LTB4R Q15722 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38

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
SCHEMBL28098421 0.87 CYP2C9 (0.48) CYP2C9HIF1ATSHRKMT2ATPMT
SCHEMBL27994450 0.83 TSHR (0.47) CYP2C9HIF1ATSHRKMT2AHSD17B10
SCHEMBL27994712 0.82 TSHR (0.42) CYP2C9HIF1ATSHRHSD17B10PPARG
SCHEMBL28836287 0.82 TSHR (0.55) CYP2C9HIF1ATSHRKMT2AHSD17B10
SCHEMBL28097554 0.81 CYP2C9 (0.43) CYP2C9HIF1ATSHRKMT2ATPMT
SCHEMBL28110730 0.80 GABRA1 (0.50) CYP2C9HIF1ATSHRKMT2AHSD17B10
SCHEMBL28047452 0.79 TSHR (0.46) CYP2C9HIF1ATSHRHSD17B10KDM4E
SCHEMBL28047411 0.78 CYP2C9 (0.53) CYP2C9HIF1ATSHRKMT2AHSD17B10
SCHEMBL28047464 0.78 CYP2C9 (0.50) CYP2C9HIF1ATSHRKMT2AHSD17B10
SCHEMBL27994771 0.77 TSHR (0.43) CYP2C9HIF1ATSHRHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105636957-B Terazololine-one compound and application thereof 住友化学株式会社 2018-05-11 CN disclosed
CN-105324373-B Tetrazolinone compound and use thereof 住友化学株式会社 2018-02-16 CN disclosed
CN-105339359-B Terazololine-one compound and application thereof 住友化学株式会社 2018-02-16 CN disclosed
CN-105392779-B Tetrazolinone compound and use thereof 住友化学株式会社 2018-01-19 CN disclosed
CN-104271571-B Tetrazolinone compound and use thereof 住友化学株式会社 2017-07-07 CN disclosed
CN-104245689-B Terazololine-one compound and its purposes as insecticide 住友化学株式会社 2017-06-06 CN disclosed
CN-106132939-A Process for producing tetrazolinone compound 住友化学株式会社 2016-11-16 CN disclosed
CN-104884442-B Terazololine-one compound and application thereof 住友化学株式会社 2016-11-02 CN disclosed
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-104822666-B Terazololine-one compound and application thereof 住友化学株式会社 2016-09-21 CN disclosed
CN-105705020-A Plant disease control composition and application for same 住友化学株式会社 2016-06-22 CN disclosed
CN-105593217-A Tetrazolinone compound and use of same SUMITOMO CHEMICAL CO 2016-05-18 CN disclosed
CN-105555139-A Plant disease control composition and use thereof SUMITOMO CHEMICAL CO 2016-05-04 CN disclosed
CN-105555138-A Plant disease control composition and use thereof SUMITOMO CHEMICAL CO 2016-05-04 CN disclosed