SCHEMBL21020924

SCHEMBL21020924

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.50
PTGS1 P23219 2/20 0.50
PTGS2 P35354 2/20 0.50
AHR P35869 3/20 0.48
TUBB1 Q9H4B7 2/20 0.47
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
ALOX12 P18054 1/20 0.44
RECQL P46063 1/20 0.44
CCR6 P51684 1/20 0.44
KMT2A Q03164 1/20 0.44
KCNH2 Q12809 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
APP P05067 3/20 0.39

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 0.88 AHR (0.63) ALOX5PTGS1PTGS2AHRTUBB1
SCHEMBL21020531 0.81 ALOX5 (0.56) ALOX5PTGS1PTGS2AHRTUBB1
SCHEMBL21021774 0.80 ALOX5 (0.50) ALOX5PTGS1PTGS2AHRTUBB1
SCHEMBL20076693 0.80 ALOX5 (0.50) ALOX5PTGS1PTGS2AHRTUBB1
SCHEMBL12514359 0.78 ALDH1A1 (0.55) ALOX5PTGS1PTGS2TUBB1KDM4E
SCHEMBL18143839 0.77 AHR (0.77) ALOX5PTGS1PTGS2AHRTUBB1
SCHEMBL18143843 0.77 AHR (0.77) ALOX5PTGS1PTGS2AHRTUBB1
SCHEMBL20076864 0.76 AHR (0.61) ALOX5PTGS1PTGS2AHRTUBB1
SCHEMBL6546261 0.75 ALOX5 (0.63) ALOX5PTGS1PTGS2TUBB1KDM4E
SCHEMBL9026432 0.75 ALOX5 (0.63) ALOX5PTGS1PTGS2TUBB1KDM4E

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