SCHEMBL16964097

SCHEMBL16964097

CN(C)C(=O)C=Cc1cccc(OCCl)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ ALOX5 P09917 2/20 0.54
▸ PTGS1 P23219 1/20 0.54
▸ PTGS2 P35354 1/20 0.54
▸ PKM P14618 1/20 0.49
▸ APP P05067 1/20 0.47
▸ BCHE P06276 5/20 0.46
▸ MAOB P27338 4/20 0.45
▸ CYP4F2 P78329 1/20 0.45
▸ CYP4A11 Q02928 1/20 0.45
▸ FOS P01100 1/20 0.44
▸ JUN P05412 1/20 0.44

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
SCHEMBL5446308 0.82 MAOB (0.62) SMN1; SMN2ALOX5PTGS1PTGS2BCHE
SCHEMBL5477544 0.76 CYP1A2 (0.67) KDM4EALDH1A1SMN1; SMN2ALOX5PTGS1
SCHEMBL2949409 0.76 CYP1A2 (0.67) KDM4EALDH1A1SMN1; SMN2ALOX5PTGS1
SCHEMBL14614293 0.75 TLR4 (0.57) KDM4EALDH1A1SMN1; SMN2ALOX5PTGS1
SCHEMBL28377653 0.74 MAOA (0.55) KDM4EALDH1A1SMN1; SMN2ALOX5PTGS1
SCHEMBL6320363 0.74 MAOB (0.62) SMN1; SMN2ALOX5PTGS1PTGS2BCHE
SCHEMBL6318820 0.74 MAOB (0.62) SMN1; SMN2ALOX5PTGS1PTGS2BCHE
SCHEMBL5479748 0.73 NPSR1 (0.65) ALOX5PTGS1PTGS2APPMAOB
SCHEMBL16899699 0.73 HSD17B3 (0.67) ALDH1A1ALOX5PTGS1PTGS2PKM
SCHEMBL481195 0.73 HSD17B3 (0.67) ALDH1A1ALOX5PTGS1PTGS2PKM

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-2900655-A1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2015-08-05 — — EP disclosed
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