SCHEMBL21021708

SCHEMBL21021708

C=Cc1ccc(/C=C/c2ccc(CC)cc2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

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
CHAT P28329 3/20 0.41
DHFR P00374 1/20 0.39
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
ALDH1A1 P00352 2/20 0.36
DHODH Q02127 1/20 0.36
BACE1 P56817 1/20 0.33
TTR P02766 2/20 0.33
LMNA P02545 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
HTT P42858 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL21021705 0.87 ALOX5 (0.45) ALOX5PTGS1PTGS2TUBB1CHAT
SCHEMBL11372722 0.83 MAPT (0.41) ALOX5PTGS1PTGS2ALDH1A1LMNA
SCHEMBL21021183 0.81 CHAT (0.61) ALOX5PTGS1PTGS2TUBB1CHAT
SCHEMBL21021699 0.81 ALOX5 (0.45) ALOX5PTGS1PTGS2TUBB1DHFR
SCHEMBL21021566 0.78 ALOX5 (0.49) ALOX5PTGS1PTGS2TUBB1CHAT
SCHEMBL21022141 0.77 ALOX5 (0.45) ALOX5PTGS1PTGS2TUBB1DHFR
SCHEMBL21021173 0.77 CHAT (0.47) ALOX5PTGS1PTGS2TUBB1CHAT
SCHEMBL20076693 0.75 ALOX5 (0.50) ALOX5PTGS1PTGS2TUBB1CHAT
SCHEMBL2439383 0.74 ALDH1A1 (0.50) ALDH1A1BACE1TTRKDM4EMAPT
SCHEMBL21021035 0.74 ALOX5 (0.53) ALOX5PTGS1PTGS2TUBB1CHAT

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