SCHEMBL21609797

SCHEMBL21609797

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.43
▸ RXRA P19793 1/20 0.42
▸ RXRB P28702 1/20 0.42
▸ RXRG P48443 1/20 0.42
▸ AKR1C3 P42330 2/20 0.40
▸ AKR1C2 P52895 2/20 0.40
▸ SRD5A2 P31213 2/20 0.40
▸ CCR2 P41597 2/20 0.39
▸ HIF1A Q16665 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.37
▸ CYP3A4 P08684 3/20 0.36
▸ MRGPRX4 Q96LA9 2/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ AKR1C1 Q04828 1/20 0.36
▸ USP2 O75604 2/20 0.36
▸ HSD17B10 Q99714 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
SCHEMBL24852726 0.82 HCAR1 (0.46) CES2KDM4CMRGPRX4
SCHEMBL21609774 0.82 NOTUM (0.56) CES2HIF1ACYP3A4HDAC3HDAC1
SCHEMBL21609776 0.81 CCR2 (0.45) CES2RXRARXRBRXRGAKR1C3
SCHEMBL17709956 0.81 KDM4C (0.37) RXRASRD5A2KDM4CP2RY14
SCHEMBL21609793 0.79 CES2 (0.42) CES2RXRARXRBRXRGAKR1C3
SCHEMBL29659870 0.77 P2RY14 (0.41) CES2RXRARXRBRXRGAKR1C3
SCHEMBL29659833 0.77 TRPM8 (0.43) CES2RXRARXRBRXRGAKR1C3
SCHEMBL22497939 0.77 TRPM8 (0.43) CES2RXRARXRBRXRGAKR1C3
SCHEMBL22498044 0.77 P2RY14 (0.41) CES2RXRARXRBRXRGAKR1C3
SCHEMBL503980 0.76 CES2 (0.70) CES2RXRARXRBRXRGAKR1C3

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 6 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-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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