SCHEMBL21609838

SCHEMBL21609838

COC(=O)c1cc(C(F)(F)F)cc(C2(C)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.57
▸ CNR1 P21554 1/20 0.40
▸ CES2 O00748 1/20 0.40
▸ CFTR P13569 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ HIF1A Q16665 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ XDH P47989 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38

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
SCHEMBL22497949 0.84 NOTUM (0.56) NOTUMCNR1CES2CFTRCA12
SCHEMBL29659839 0.84 NOTUM (0.56) NOTUMCNR1CES2CFTRCA12
SCHEMBL21609774 0.84 NOTUM (0.56) NOTUMCNR1CES2CFTRCA12
SCHEMBL21609776 0.83 CCR2 (0.45) NOTUMCES2HIF1AHDAC3HDAC1
SCHEMBL21609802 0.83 NOTUM (0.55) NOTUMCNR1CES2CFTRCA12
SCHEMBL29659834 0.81 NOTUM (0.52) NOTUMCNR1CES2CFTRCA12
SCHEMBL22497961 0.81 NOTUM (0.52) NOTUMCNR1CES2CFTRCA12
SCHEMBL475762 0.81 NOTUM (0.77) NOTUMCNR1CES2CFTRCA12
SCHEMBL1999038 0.81 NOTUM (0.77) NOTUMCNR1CES2CFTRCA12
SCHEMBL24526586 0.80 CA12 (0.42) NOTUMCA12CA1CA2CA7

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3814332-B1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2023-06-07 — — EP disclosed
EP-3814332-B1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2023-06-07 — — EP disclosed
EP-3814332-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-05-05 — — EP disclosed
CN-112351978-A Pesticidally active azole-amide compounds 先正达参股股份有限公司 2021-02-09 — — CN disclosed
WO-2020201398-A1 PESTICIDALLY ACTIVE DIAZINE-AMIDE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-10-08 — — WO disclosed
WO-2020002563-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2020-01-02 — — WO disclosed
WO-2020002563-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2020-01-02 — — WO disclosed
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