SCHEMBL21022141

SCHEMBL21022141

C=Cc1cc(/C=C/c2ccc(CC)cc2)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
TUBB1 Q9H4B7 1/20 0.43
NFE2L2 Q16236 14/20 0.42
DHFR P00374 1/20 0.36
RELA Q04206 1/20 0.34
PABPC1 P11940 1/20 0.34
RAB9A P51151 1/20 0.34
EIF4H Q15056 1/20 0.34
KDM4A O75164 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33

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
SCHEMBL21021699 0.87 ALOX5 (0.45) ALOX5PTGS1PTGS2TUBB1NFE2L2
SCHEMBL16955721 0.83 TRPA1 (0.38) ALOX5PTGS1PTGS2RAB9A
SCHEMBL21021705 0.81 ALOX5 (0.45) ALOX5PTGS1PTGS2TUBB1NFE2L2
SCHEMBL20076447 0.78 PTGS1 (0.62) ALOX5PTGS1PTGS2TUBB1NFE2L2
SCHEMBL21021708 0.77 ALOX5 (0.45) ALOX5PTGS1PTGS2TUBB1DHFR
SCHEMBL21021173 0.77 CHAT (0.47) ALOX5PTGS1PTGS2TUBB1NFE2L2
SCHEMBL21021781 0.75 PTGS1 (0.50) ALOX5PTGS1PTGS2TUBB1NFE2L2
SCHEMBL23384496 0.75 NFE2L2 (0.66) ALOX5PTGS1PTGS2TUBB1NFE2L2
SCHEMBL25034503 0.75 NFE2L2 (0.51) NFE2L2RELA
SCHEMBL6546261 0.74 ALOX5 (0.63) ALOX5PTGS1PTGS2TUBB1DHFR

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