SCHEMBL11209448

SCHEMBL11209448

CCNC(c1ccc(OCc2ccccc2)cc1)C(Cl)(Cl)Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
GAA P10253 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
LMNA P02545 1/20 0.45
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
PTGS2 P35354 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HIF1A Q16665 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
AR P10275 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 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
SCHEMBL11211010 0.89 HDAC3 (0.48) BCHEMEN1KMT2ACYP1A2CYP2C19
SCHEMBL11208145 0.88 FFAR1 (0.46) BCHEMEN1KMT2ACYP1A2CYP2C19
SCHEMBL11211662 0.87 SIGMAR1 (0.48) BCHEMEN1KMT2ACYP1A2CYP2C19
SCHEMBL11210926 0.86 BCHE (0.52) BCHEMEN1KMT2ACYP1A2CYP2C19
SCHEMBL11208739 0.86 BCHE (0.50) BCHEMEN1KMT2ACYP1A2CYP2C19
SCHEMBL11212327 0.83 BCHE (0.51) BCHEMEN1KMT2ACYP1A2CYP2C19
SCHEMBL11208647 0.79 SGMS2 (0.48) BCHEMEN1KMT2ACYP1A2CYP2C19
SCHEMBL11209589 0.79 TDP1 (0.50) BCHEMEN1KMT2ALMNANPSR1
SCHEMBL11208063 0.76 FFAR1 (0.43) MAPK1SMN1; SMN2MAPTMAOBRAB9A
SCHEMBL10992484 0.75 LMNA (0.56) CYP1A2CYP2C19GAALMNAPTGS1

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-B1 4-BENZYLOXY-ALPHA-TRICHLOROMETHYLBENZYL AMINES, PROCESS FOR THEIR PREPARATION, PESTICIDAL COMPOSITIONS CONTAINING THEM, THEIR PREPARATION AND USE BAYER AG (DE) 1983-11-09 EP disclosed