SCHEMBL28047464

SCHEMBL28047464

COc1cccc(Cc2ccc(C(=O)O)cc2C(=O)O)c1CBr

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.50
HIF1A Q16665 1/20 0.50
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 2/20 0.44
RAB9A P51151 2/20 0.44
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
TPMT P51580 1/20 0.42
TSHR P16473 2/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
HTT P42858 2/20 0.40

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
SCHEMBL28857365 0.89 CYP2C9 (0.51) CYP2C9HIF1AKDM4EALDH1A1HPGD
SCHEMBL28097630 0.85 TSHR (0.46) CYP2C9HIF1AKDM4EALDH1A1HPGD
SCHEMBL28047411 0.84 CYP2C9 (0.53) CYP2C9HIF1AKDM4EALDH1A1HPGD
SCHEMBL28050988 0.84 TSHR (0.48) CYP2C9HIF1AKDM4EALDH1A1HPGD
SCHEMBL28047452 0.82 TSHR (0.46) CYP2C9HIF1AKDM4EALDH1A1HSD17B10
SCHEMBL28097517 0.81 TSHR (0.44) CYP2C9HIF1AKDM4EHSD17B10TSHR
SCHEMBL28097628 0.81 TSHR (0.44) CYP2C9HIF1AKDM4EALDH1A1HPGD
SCHEMBL28047407 0.81 TSHR (0.44) KDM4ERAB9ATSHRMRGPRX4HTT
SCHEMBL27994712 0.78 TSHR (0.42) CYP2C9HIF1AKDM4EALDH1A1HPGD
SCHEMBL27994551 0.78 TSHR (0.43) CYP2C9HIF1AKDM4EALDH1A1HPGD

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 12 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-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-104884442-B Terazololine-one compound and application thereof 住友化学株式会社 2016-11-02 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-105636957-A Tetrazolinone compound and application for same SUMITOMO CHEMICAL CO 2016-06-01 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