SCHEMBL21609780

SCHEMBL21609780

COC(=O)c1cc(OCC2CC2)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.52
RBP4 P02753 1/20 0.45
KAT6A Q92794 4/20 0.42
F2 P00734 1/20 0.41
PARP15 Q460N3 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
P2RX3 P56373 2/20 0.40
P2RX2 Q9UBL9 2/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
CNR1 P21554 1/20 0.40
ADCY8 P40145 1/20 0.40
ADCY1 Q08828 1/20 0.40
LMNA P02545 1/20 0.39
SCN9A Q15858 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
ACACB O00763 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 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
SCHEMBL2814734 0.87 RBP4 (0.44) NOTUMRBP4KAT6AF2PARP15
SCHEMBL10068809 0.86 PARP15 (0.49) KAT6AF2PARP15PARP10PARP2
SCHEMBL21609801 0.85 RBP4 (0.47) RBP4KAT6APARP15PARP10PARP2
SCHEMBL14813011 0.82 WDR5 (0.48) F2PARP15PARP10PARP2LMNA
SCHEMBL17703910 0.82 NOTUM (0.59) NOTUMCNR1LMNASCN9A
SCHEMBL10068810 0.81 NR1H4 (0.50) KAT6AF2PARP15PARP10PARP2
SCHEMBL21817404 0.81 KAT6A (0.52) KAT6AF2PARP15PARP10PARP2
SCHEMBL30056075 0.81 KAT6A (0.52) KAT6AF2PARP15PARP10PARP2
SCHEMBL14164999 0.80 PARP15 (0.47) KAT6AF2PARP15PARP10PARP2
SCHEMBL31144903 0.80 NOTUM (0.56) NOTUMGPBAR1CNR1LMNASCN9A

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