SCHEMBL3678377

SCHEMBL3678377

CC(Oc1ccccc1)Oc1ccccc1.NNC(=O)O.NNC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
POLB P06746 1/20 0.45
ALDH1A1 P00352 4/20 0.45
GAA P10253 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
OGG1 O15527 1/20 0.45
HPGD P15428 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
TSHR P16473 3/20 0.42
TDP1 Q9NUW8 2/20 0.42

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
Bicarbonate SCHEMBL3270191 0.86 GAA (0.52) MTNR1AMTNR1BPOLBALDH1A1GAA
Methylamine SCHEMBL10763289 0.81 KDM4E (0.47) MTNR1AMTNR1BPOLBALDH1A1GAA
SCHEMBL542873 0.81 KDM4E (0.50) MTNR1AMTNR1BPOLBALDH1A1GAA
SCHEMBL7568411 0.79 ALDH1A1 (0.70) POLBALDH1A1GAAMEN1KMT2A
Dimethylamine SCHEMBL9504815 0.79 KDM4E (0.46) MTNR1AMTNR1BALDH1A1GAAMEN1
Diphenylether SCHEMBL3677041 0.77 LTA4H (0.57) ALDH1A1HPGDSMN1; SMN2TSHRNPC1
SCHEMBL4652037 0.77 POLB (0.45) MTNR1AMTNR1BPOLBALDH1A1GAA
Acrylic Acid SCHEMBL27803178 0.77 MTNR1A (0.45) MTNR1AMTNR1BPOLBALDH1A1GAA
SCHEMBL10407393 0.76 MTNR1A (0.51) MTNR1AMTNR1BPOLBALDH1A1GAA
Bicarbonate SCHEMBL11147890 0.76 MTNR1A (0.47) MTNR1AMTNR1BPOLBALDH1A1GAA

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-2235092-A1 COATED POLYOXYMETHYLENES BASF SE (DE) 2010-10-06 EP disclosed
WO-2009092698-A1 COATED POLYOXYMETHYLENES BASF SE (DE) 2009-07-30 WO disclosed