SCHEMBL21020531

SCHEMBL21020531

CCc1ccc(/C=C/c2cc(C)cc(Cl)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.56
PTGS1 P23219 3/20 0.56
PTGS2 P35354 3/20 0.56
AHR P35869 3/20 0.50
TUBB1 Q9H4B7 1/20 0.49
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
LMNA P02545 4/20 0.39
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
NFE2L2 Q16236 1/20 0.37
CHAT P28329 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 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
SCHEMBL21021168 0.89 AHR (0.63) ALOX5PTGS1PTGS2AHRTUBB1
SCHEMBL25752220 0.83 AHR (0.72) ALOX5PTGS1PTGS2AHRMAOA
SCHEMBL21021774 0.81 ALOX5 (0.50) ALOX5PTGS1PTGS2AHRTUBB1
SCHEMBL20076693 0.81 ALOX5 (0.50) ALOX5PTGS1PTGS2AHRTUBB1
SCHEMBL21020924 0.81 ALOX5 (0.50) ALOX5PTGS1PTGS2AHRTUBB1
SCHEMBL21021715 0.81 AHR (0.44) ALOX5PTGS1PTGS2AHRLMNA
SCHEMBL20076864 0.78 AHR (0.61) ALOX5PTGS1PTGS2AHRTUBB1
SCHEMBL6546965 0.77 PTGS1 (0.60) ALOX5PTGS1PTGS2TUBB1SMN1; SMN2
SCHEMBL28779438 0.77 PTGS1 (0.60) ALOX5PTGS1PTGS2TUBB1SMN1; SMN2
SCHEMBL29086916 0.77 PTGS1 (0.60) ALOX5PTGS1PTGS2TUBB1SMN1; SMN2

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
EP-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed