SCHEMBL28097628

SCHEMBL28097628

O=C(O)c1ccc(Cc2cccc(F)c2CBr)c(C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
KDM4E B2RXH2 2/20 0.40
TTR P02766 1/20 0.38
RXRA P19793 1/20 0.37
AKR1C3 P42330 1/20 0.37
ALB P02768 1/20 0.36
PTPN1 P18031 2/20 0.36
KDM4C Q9H3R0 1/20 0.36
RORC P51449 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
CDC25A P30304 1/20 0.35
CDC25B P30305 1/20 0.35
PLA2G2D Q9UNK4 1/20 0.35
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34

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
SCHEMBL28815926 0.90 TSHR (0.43) TSHRKDM4ETTRRXRAAKR1C3
SCHEMBL28845440 0.90 TSHR (0.44) TSHRKDM4ETTRRXRAAKR1C3
SCHEMBL28097630 0.85 TSHR (0.46) TSHRKDM4ERXRAAKR1C3PTPN1
SCHEMBL28047452 0.85 TSHR (0.46) TSHRKDM4EAKR1C3PTPN1MRGPRX4
SCHEMBL27994698 0.85 TSHR (0.43) TSHRKDM4ETTRRXRAAKR1C3
SCHEMBL28097517 0.84 TSHR (0.44) TSHRKDM4EAKR1C3PTPN1CYP2C9
SCHEMBL28047407 0.84 TSHR (0.44) TSHRKDM4EMRGPRX4
SCHEMBL28050988 0.84 TSHR (0.48) TSHRKDM4ERXRAPTPN1CYP2C9
SCHEMBL28129596 0.83 TSHR (0.55) TSHRKDM4ETTRRXRAAKR1C3
SCHEMBL28098475 0.83 RXRA (0.41) TSHRKDM4ETTRRXRAALB

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-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