SCHEMBL28615799

SCHEMBL28615799

CC(C)(C)OC(=O)N(Cc1ccc(I)cc1C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPRA P18433 1/20 0.35
PTPRB P23467 1/20 0.35
PTPRE P23469 1/20 0.35
PTPN6 P29350 1/20 0.35
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GRM2 Q14416 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
AKT1 P31749 2/20 0.33
STAT5B P51692 1/20 0.32
SLC6A4 P31645 3/20 0.31
SLC6A2 P23975 2/20 0.31
HTR2C P28335 1/20 0.31
HDAC3 O15379 1/20 0.31

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
SCHEMBL19795464 0.81 SSTR4 (0.37) GABRG2GABRB3GABRA5GRM2GABRA1
SCHEMBL6392687 0.78 ACE2 (0.36) GRM2AKT1HDAC3HDAC1HDAC2
SCHEMBL28612868 0.76 PTPRC (0.38) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL7385138 0.75 MRGPRX4 (0.42) STAT5B
SCHEMBL4765343 0.74 GRM2 (0.42) GABRG2GABRB3GABRA5GRM2GABRA1
Ethane SCHEMBL4641157 0.74 GABRG2 (0.42) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL16831460 0.72 PTPRC (0.47) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL2174682 0.71 MRGPRX4 (0.43) GRM2SLC6A4HTR2CHDAC3HDAC1
SCHEMBL6941296 0.71 CDC25B (0.42) GRM2HDAC3HDAC1HDAC2NCOR2
SCHEMBL4767547 0.71 GRM2 (0.40) GABRG2GABRB3GABRA5GRM2GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108025189-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2021-07-02 CN disclosed