SCHEMBL21609800

SCHEMBL21609800

CC(C)(C#N)Oc1cc(C(=O)O)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 9/20 0.41
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40
RXRG P48443 2/20 0.40
CES2 O00748 1/20 0.40
SRD5A2 P31213 2/20 0.37
NOTUM Q6P988 1/20 0.37
NR4A2 P43354 2/20 0.36
PLA2G2A P14555 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AURKA O14965 1/20 0.34
TPX2 Q9ULW0 1/20 0.34

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
SCHEMBL25560521 0.87 RXRA (0.39) MRGPRX4RXRARXRBRXRGCES2
SCHEMBL21609799 0.86 NOTUM (0.55) MRGPRX4CES2NOTUM
SCHEMBL25560524 0.84 CES2 (0.44) MRGPRX4RXRARXRBRXRGCES2
SCHEMBL16729402 0.81 AURKA (0.49) MRGPRX4RXRARXRBRXRGCES2
SCHEMBL30043488 0.79 AURKA (0.43) MRGPRX4AURKATPX2
SCHEMBL26146868 0.79 AURKA (0.43) MRGPRX4AURKATPX2
SCHEMBL25178850 0.79 PLA2G2A (0.40) MRGPRX4NOTUMPLA2G2A
SCHEMBL30043721 0.79 TPMT (0.48) MRGPRX4RXRARXRBPLA2G2A
SCHEMBL25185967 0.79 TPMT (0.48) MRGPRX4RXRARXRBPLA2G2A
SCHEMBL30043822 0.79 PLA2G2A (0.40) MRGPRX4NOTUMPLA2G2A

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