SCHEMBL13296243

SCHEMBL13296243

O=C(OCC(O)COc1ccccc1)c1ccc(O)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
MAPT P10636 2/20 0.57
ADRB2 P07550 8/20 0.56
ADRB1 P08588 8/20 0.56
ADRB3 P13945 8/20 0.56
LMNA P02545 2/20 0.54
ALDH1A1 P00352 1/20 0.53
ESR1 P03372 2/20 0.50
ESR2 Q92731 2/20 0.50
POLB P06746 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP2D6 P10635 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46

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
SCHEMBL12865769 0.94 MEN1 (0.77) MEN1KMT2AMAPTADRB2ADRB1
SCHEMBL7037877 0.91 MEN1 (0.72) MEN1KMT2AMAPTADRB2ADRB1
SCHEMBL12311419 0.88 MEN1 (0.70) MEN1KMT2AMAPTADRB2ADRB1
SCHEMBL17991052 0.88 MEN1 (0.70) MEN1KMT2AMAPTADRB2ADRB1
SCHEMBL13296202 0.87 MEN1 (0.68) MEN1KMT2AMAPTADRB2ADRB1
SCHEMBL13480739 0.86 ADRB2 (0.57) MEN1KMT2AMAPTADRB2ADRB1
SCHEMBL12311421 0.85 MEN1 (0.69) MEN1KMT2AMAPTADRB2ADRB1
SCHEMBL17991055 0.83 MEN1 (0.64) MEN1KMT2AMAPTADRB2ADRB1
SCHEMBL12311424 0.83 KMT2A (0.64) MEN1KMT2AMAPTADRB2ADRB1
SCHEMBL14545170 0.83 MEN1 (0.67) MEN1KMT2AMAPTADRB2ADRB1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2886117-B1 Topical compositions for the treatment of Gardnerella vaginalis infections OVER S R L (IT) 2019-08-21 EP disclosed
EP-2886117-A1 Topical compositions for the treatment of Gardnerella vaginalis infections Over S.r.l. (IT) 2015-06-24 EP disclosed
US-7736822-B2 Resist underlayer coating forming composition for mask blank, mask blank and mask HOYA CORPORATION (JP) 2010-06-15 US disclosed
US-20100081081-A1 RESIST UNDERLAYER FILM FORMING COMPOSITION FOR ELECTRON BEAM LITHOGRAPHY NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-01 US disclosed
US-20070190459-A1 Resist underlayer coating forming composition for mask blank, mask blank and mask HOYA CORPORATION (JP) 2007-08-16 US disclosed