SCHEMBL11208647

SCHEMBL11208647

ClC(Cl)(Cl)C(NCc1ccco1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 2/20 0.48
MAPT P10636 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 2/20 0.45
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
BCHE P06276 3/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
GAA P10253 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPK1 P28482 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
SCHEMBL11207912 0.90 MAPT (0.47) SGMS2MAPTALDH1A1KMT2APOLB
SCHEMBL11279957 0.88 RAB9A (0.44) SGMS2MAPTL3MBTL1ALDH1A1MEN1
SCHEMBL11209589 0.79 TDP1 (0.50) MAPTL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL11209448 0.79 BCHE (0.48) MAPTL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL11282164 0.77 PTPRZ1 (0.38) SGMS2MAPTL3MBTL1ALDH1A1MEN1
SCHEMBL11210926 0.77 BCHE (0.52) MEN1KMT2APOLBBCHECYP1A2
SCHEMBL11211010 0.77 HDAC3 (0.48) MEN1KMT2APOLBBCHECYP1A2
SCHEMBL11208739 0.76 BCHE (0.50) MAPTL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL3425734 0.75 BCHE (0.71) ALDH1A1MEN1KMT2ABCHEMAPK1
SCHEMBL11211662 0.75 SIGMAR1 (0.48) L3MBTL1MEN1KMT2ABCHECYP1A2

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