SCHEMBL11276905

SCHEMBL11276905

CC(C)CNC(c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1)C(Cl)(Cl)Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP14 P50281 1/20 0.40
ADAM17 P78536 1/20 0.40
BCHE P06276 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CASR P41180 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
ACACB O00763 1/20 0.37
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
PTPRZ1 P23471 1/20 0.36

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
SCHEMBL11276815 0.88 MAOB (0.49) MMP2MMP9BCHEALDH1A1
SCHEMBL11210926 0.85 BCHE (0.52) BCHEMEN1POLBMAPK1KMT2A
SCHEMBL11283415 0.84 HDAC3 (0.43) MRGPRX4MMP1MMP2MMP9MMP14
SCHEMBL11273897 0.82 HDAC3 (0.39) MRGPRX4MMP1MMP2MMP9MMP14
SCHEMBL11279957 0.78 RAB9A (0.44) MRGPRX4MMP1MMP2MMP9MMP14
SCHEMBL4662934 0.75 MAOB (0.45) MRGPRX4MMP1MMP2MMP9MMP14
SCHEMBL14163891 0.74 RXRA (0.56) MRGPRX4MMP1MMP2MMP9MMP14
SCHEMBL11208145 0.74 FFAR1 (0.46) BCHEALDH1A1MEN1POLBMAPK1
SCHEMBL11209448 0.72 BCHE (0.48) BCHEALDH1A1MEN1POLBMAPK1
SCHEMBL11277117 0.70 FFAR1 (0.46)

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