SCHEMBL20076447

SCHEMBL20076447

CCc1ccc(/C=C/c2ccc(F)c(C)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.62
PTGS2 P35354 5/20 0.62
ALOX5 P09917 4/20 0.62
NFE2L2 Q16236 6/20 0.50
TUBB1 Q9H4B7 3/20 0.46
GABRA1 P14867 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GPR183 P32249 1/20 0.39
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAOA P21397 1/20 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
SCHEMBL20076672 0.84 PTGS1 (0.69) PTGS1PTGS2ALOX5NFE2L2TUBB1
SCHEMBL21021173 0.81 CHAT (0.47) PTGS1PTGS2ALOX5NFE2L2TUBB1
SCHEMBL27432274 0.80 RARB (0.43) PTGS1PTGS2ALOX5NFE2L2TUBB1
SCHEMBL6953517 0.78 SLC6A2 (0.45) PTGS1PTGS2ALOX5GABRA1SIGMAR1
SCHEMBL21022141 0.78 ALOX5 (0.45) PTGS1PTGS2ALOX5NFE2L2TUBB1
SCHEMBL6546261 0.78 ALOX5 (0.63) PTGS1PTGS2ALOX5TUBB1LMNA
SCHEMBL16853122 0.78 ALOX5 (0.63) PTGS1PTGS2ALOX5TUBB1LMNA
SCHEMBL9026437 0.78 ALOX5 (0.63) PTGS1PTGS2ALOX5TUBB1LMNA
SCHEMBL9026432 0.78 ALOX5 (0.63) PTGS1PTGS2ALOX5TUBB1LMNA
SCHEMBL21021697 0.77 ALOX5 (0.47) PTGS1PTGS2ALOX5NFE2L2TUBB1

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
WO-2018071327-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-04-19 WO disclosed