SCHEMBL28047411

SCHEMBL28047411

COc1cccc(Cc2ccc(C(=O)O)cc2C(=O)O)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.53
HIF1A Q16665 1/20 0.53
LMNA P02545 2/20 0.47
RAB9A P51151 2/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA7 P43166 1/20 0.45
TPMT P51580 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
TSHR P16473 2/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
HTT P42858 2/20 0.43
KMT2A Q03164 1/20 0.43
PLA2G4A P47712 3/20 0.42

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 0.85 CYP2C9 (0.51) CYP2C9HIF1ALMNARAB9ACA12
SCHEMBL28047464 0.84 CYP2C9 (0.50) CYP2C9HIF1ALMNARAB9ACA12
SCHEMBL27994450 0.81 TSHR (0.47) CYP2C9HIF1ALMNARAB9ATSHR
SCHEMBL27994717 0.81 TSHR (0.47) CYP2C9HIF1ALMNARAB9ATSHR
SCHEMBL28144559 0.81 TSHR (0.47) CYP2C9HIF1ALMNARAB9ATSHR
SCHEMBL28144595 0.81 TSHR (0.47) CYP2C9HIF1ALMNARAB9ATSHR
SCHEMBL28098421 0.80 CYP2C9 (0.48) CYP2C9HIF1ALMNARAB9ACA12
SCHEMBL28024062 0.79 TSHR (0.44) CYP2C9HIF1ALMNARAB9ATSHR
SCHEMBL28047449 0.78 CYP2C9 (0.46) CYP2C9HIF1ALMNARAB9ACA12
SCHEMBL28954513 0.76 CYP2C9 (0.43) CYP2C9HIF1AMRGPRX4HTTKMT2A

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 13 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-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-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