SCHEMBL28097554

SCHEMBL28097554

C=Cc1cccc(Cc2ccc(C(=O)O)cc2C(=O)O)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.43
HIF1A Q16665 1/20 0.43
TSHR P16473 1/20 0.41
KDM4E B2RXH2 7/20 0.39
RAB9A P51151 4/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 3/20 0.39
HPGD P15428 3/20 0.39
HTT P42858 2/20 0.39
HSP90AA1 P07900 1/20 0.39
KMT2A Q03164 2/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
LMNA P02545 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
PLA2G4A P47712 3/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL28815920 0.84 CYP2C9 (0.39) CYP2C9HIF1ATSHRKDM4ERAB9A
SCHEMBL28098421 0.84 CYP2C9 (0.48) CYP2C9HIF1ATSHRKDM4ERAB9A
SCHEMBL28047449 0.81 CYP2C9 (0.46) CYP2C9HIF1ATSHRKDM4ERAB9A
SCHEMBL28047411 0.75 CYP2C9 (0.53) CYP2C9HIF1ATSHRKDM4ERAB9A
SCHEMBL5468604 0.74 ALDH1A1 (0.44) KDM4ERAB9AALDH1A1NPC1HPGD
SCHEMBL28857365 0.73 CYP2C9 (0.51) CYP2C9HIF1ATSHRKDM4ERAB9A
SCHEMBL28047464 0.72 CYP2C9 (0.50) CYP2C9HIF1ATSHRKDM4ERAB9A
SCHEMBL14999533 0.72 HTR1A (0.42) CA1CA2GPR55
SCHEMBL27994522 0.72 TSHR (0.43) CYP2C9HIF1ATSHRKDM4ERAB9A
SCHEMBL28110730 0.71 GABRA1 (0.50) CYP2C9HIF1ATSHRKDM4ERAB9A

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 8 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-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