SCHEMBL11277117

SCHEMBL11277117

CCCCCCNC(c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1)C(Cl)(Cl)Cl

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.46
PPARG P37231 1/20 0.46
MAOB P27338 6/20 0.45
PLG P00747 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
SLC6A5 Q9Y345 3/20 0.44
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
ALOX5 P09917 1/20 0.39
PSEN1 P49768 1/20 0.39

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
SCHEMBL11273897 0.89 HDAC3 (0.39) PLGPRSS1PRSS2PRSS3
SCHEMBL11283415 0.84 HDAC3 (0.43) FFAR1PPARG
SCHEMBL11208063 0.83 FFAR1 (0.43) FFAR1MAOB
SCHEMBL11276815 0.82 MAOB (0.49) FFAR1PPARGMAOBSLC6A5MME
SCHEMBL11211662 0.82 SIGMAR1 (0.48)
SCHEMBL11211010 0.77 HDAC3 (0.48)
SCHEMBL15442613 0.73 MAOB (0.62) FFAR1PPARGMAOBSLC6A5
SCHEMBL11208145 0.73 FFAR1 (0.46) FFAR1MAOB
SCHEMBL18164548 0.72 MAOB (0.70) FFAR1PPARGMAOB
SCHEMBL11209448 0.71 BCHE (0.48) MAOB

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-0051196-A1 4-Benzyloxy-alpha-trichloromethylbenzyl amines, process for their preparation, pesticidal compositions containing them, their preparation and use BAYER AG (DE) 1982-05-12 EP disclosed