SCHEMBL28097630

SCHEMBL28097630

CCc1cccc(Cc2ccc(C(=O)O)cc2C(=O)O)c1CBr

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
KDM4E B2RXH2 2/20 0.41
CYP2C9 P11712 1/20 0.39
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 3/20 0.39
RAB9A P51151 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BCL2 P10415 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
PTPN1 P18031 1/20 0.37
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
CLCN2 P51788 1/20 0.37
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
AKR1B10 O60218 1/20 0.36
AKR1B1 P15121 1/20 0.36
AKR1C4 P17516 1/20 0.36

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
SCHEMBL27994551 0.90 TSHR (0.43) TSHRKDM4ECYP2C9HIF1AALDH1A1
SCHEMBL28050988 0.88 TSHR (0.48) TSHRKDM4ECYP2C9HIF1AALDH1A1
SCHEMBL28857243 0.88 TSHR (0.47) TSHRKDM4ECYP2C9HIF1AALDH1A1
SCHEMBL28047452 0.86 TSHR (0.46) TSHRKDM4ECYP2C9HIF1AALDH1A1
SCHEMBL28110703 0.86 TSHR (0.46) TSHRKDM4ECYP2C9HIF1AALDH1A1
SCHEMBL28097517 0.85 TSHR (0.44) TSHRKDM4ECYP2C9HIF1APTPN1
SCHEMBL28047407 0.85 TSHR (0.44) TSHRKDM4ERAB9ASMN1; SMN2SLC22A12
SCHEMBL28097628 0.85 TSHR (0.44) TSHRKDM4ECYP2C9HIF1AALDH1A1
SCHEMBL28047464 0.85 CYP2C9 (0.50) TSHRKDM4ECYP2C9HIF1AALDH1A1
SCHEMBL28110730 0.85 GABRA1 (0.50) TSHRKDM4ECYP2C9HIF1AALDH1A1

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-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-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