SCHEMBL28098421

SCHEMBL28098421

CCc1cccc(Cc2ccc(C(=O)O)cc2C(=O)O)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.48
HIF1A Q16665 1/20 0.48
TSHR P16473 2/20 0.46
KDM4E B2RXH2 3/20 0.41
KMT2A Q03164 3/20 0.41
RAB9A P51151 3/20 0.40
LMNA P02545 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA7 P43166 1/20 0.40
TPMT P51580 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL28047449 0.87 CYP2C9 (0.46) CYP2C9HIF1ATSHRKDM4EKMT2A
SCHEMBL28097554 0.84 CYP2C9 (0.43) CYP2C9HIF1ATSHRKDM4EKMT2A
SCHEMBL28110730 0.82 GABRA1 (0.50) CYP2C9HIF1ATSHRKDM4EKMT2A
SCHEMBL27994522 0.82 TSHR (0.43) CYP2C9HIF1ATSHRKDM4EKMT2A
SCHEMBL28047411 0.80 CYP2C9 (0.53) CYP2C9HIF1ATSHRKDM4EKMT2A
SCHEMBL28857243 0.80 TSHR (0.47) CYP2C9HIF1ATSHRKDM4EKMT2A
SCHEMBL28110703 0.78 TSHR (0.46) CYP2C9HIF1ATSHRKDM4EKMT2A
SCHEMBL28097630 0.78 TSHR (0.46) CYP2C9HIF1ATSHRKDM4EKMT2A
SCHEMBL28857365 0.78 CYP2C9 (0.51) CYP2C9HIF1ATSHRKDM4EKMT2A
SCHEMBL1355542 0.77 ALDH1A1 (0.52) TSHRKDM4EKMT2ARAB9ACA12

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 9 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-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-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