SCHEMBL1629435

SCHEMBL1629435

O=C(CC(CO)CO)OCC(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
MAPT P10636 5/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
MEN1 O00255 3/20 0.51
HPGD P15428 3/20 0.51
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 1/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL7946523 0.80 MAPT (0.58) KMT2AMAPTL3MBTL1MEN1HPGD
SCHEMBL14980300 0.80 KMT2A (0.51) KMT2AMAPTL3MBTL1MEN1HPGD
SCHEMBL9547929 0.78 KMT2A (0.60) KMT2AMAPTL3MBTL1MEN1HPGD
SCHEMBL6831485 0.76 ALDH1A1 (0.59) KMT2AMAPTL3MBTL1LMNATDP1
SCHEMBL17698007 0.75 MAPT (0.57) KMT2AMAPTL3MBTL1MEN1HPGD
SCHEMBL8608672 0.75 MAPT (0.57) KMT2AMAPTL3MBTL1MEN1HPGD
SCHEMBL11100298 0.75 MAPT (0.57) KMT2AMAPTL3MBTL1MEN1HPGD
SCHEMBL9547932 0.75 KMT2A (0.57) KMT2AMAPTL3MBTL1MEN1HPGD
SCHEMBL2175972 0.75 NPC1 (0.57) KMT2AMAPTL3MBTL1MEN1HPGD
SCHEMBL4530995 0.75 ESR1 (0.50) KMT2AMAPTL3MBTL1MEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362159-B2 Degradable biocompatible block copolymer EIDGENOSSISCHE TECHNISCHE HOCHSCHULE ZURICH (CH) 2013-01-29 US disclosed
US-20110093066-A1 Degradable Biocompatible Block Copolymer EIDGENOSSISCHE TECHNISCHE HOCHSCHULE ZURICH (CH) 2011-04-21 US disclosed
US-20060178477-A1 Degradable biocompatible block copolymer EIDGENOSSISCHE TECHNISCHE HOCHSCHULE ZURICH (CH) 2006-08-10 US disclosed