SCHEMBL11207912

SCHEMBL11207912

Cc1ccc(COc2ccc(C(NCc3ccco3)C(Cl)(Cl)Cl)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP2C9 P11712 2/20 0.43
HPGD P15428 1/20 0.43
TP53 P04637 3/20 0.42
THRB P10828 1/20 0.42
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP2D6 P10635 1/20 0.41
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
MAOB P27338 1/20 0.39
SGMS2 Q8NHU3 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
SCHEMBL11208647 0.90 SGMS2 (0.48) MAPTCYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL11279957 0.87 RAB9A (0.44) MAPTCYP1A2CYP3A4CYP2C19HPGD
SCHEMBL11208145 0.80 FFAR1 (0.46) MAPTCYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL11282164 0.77 PTPRZ1 (0.38) MAPTCYP1A2CYP3A4CYP2C19HPGD
SCHEMBL11208063 0.76 FFAR1 (0.43) MAPTALDH1A1SMN1; SMN2MAOB
SCHEMBL11209448 0.71 BCHE (0.48) MAPTCYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL14410492 0.71 GAA (0.69) MAPTCYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL11209589 0.70 TDP1 (0.50) MAPTTP53NPSR1ALDH1A1SMN1; SMN2
SCHEMBL11210926 0.69 BCHE (0.52) CYP1A2CYP2C19NPSR1SMN1; SMN2KMT2A
SCHEMBL11211010 0.69 HDAC3 (0.48) CYP1A2CYP3A4CYP2C19CYP2C9GAA

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 2 patents. 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
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