SCHEMBL21021795

SCHEMBL21021795

CCc1ccc(/C=C/c2cc(F)c(Br)c(CC)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
TUBB1 Q9H4B7 3/20 0.45
LMNA P02545 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
ALOX12 P18054 1/20 0.39
RECQL P46063 1/20 0.39
CCR6 P51684 1/20 0.39
KCNH2 Q12809 1/20 0.39
NFE2L2 Q16236 1/20 0.38
RAB9A P51151 3/20 0.37

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
SCHEMBL21021697 0.79 ALOX5 (0.47) ALOX5PTGS1PTGS2TUBB1LMNA
SCHEMBL6546261 0.73 ALOX5 (0.63) ALOX5PTGS1PTGS2TUBB1LMNA
SCHEMBL9026432 0.73 ALOX5 (0.63) ALOX5PTGS1PTGS2TUBB1LMNA
SCHEMBL9026437 0.73 ALOX5 (0.63) ALOX5PTGS1PTGS2TUBB1LMNA
SCHEMBL16853122 0.73 ALOX5 (0.63) ALOX5PTGS1PTGS2TUBB1LMNA
SCHEMBL24484876 0.72 NFE2L2 (0.58) ALOX5PTGS1PTGS2TUBB1LMNA
SCHEMBL19237139 0.72 PTGS2 (0.63) ALOX5PTGS1PTGS2TUBB1LMNA
SCHEMBL12514359 0.72 ALDH1A1 (0.55) ALOX5PTGS1PTGS2TUBB1LMNA
SCHEMBL20076672 0.71 PTGS1 (0.69) ALOX5PTGS1PTGS2TUBB1LMNA
SCHEMBL20076447 0.70 PTGS1 (0.62) ALOX5PTGS1PTGS2TUBB1LMNA

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