SCHEMBL434646

SCHEMBL434646

C=CC(=O)OCCOC(=O)c1ccco1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 5/20 0.50
THRB P10828 1/20 0.50
MAPT P10636 2/20 0.48
TSHR P16473 4/20 0.47
HSD17B10 Q99714 2/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 2/20 0.46
HIF1A Q16665 2/20 0.46
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL28283977 0.94 ALDH1A1 (0.49) ALDH1A1LMNAKMT2ATHRBMAPT
SCHEMBL17959698 0.94 ALDH1A1 (0.51) ALDH1A1LMNAKMT2ATHRBMAPT
SCHEMBL11039202 0.87 ALDH1A1 (0.62) ALDH1A1LMNAKMT2AMAPTTSHR
SCHEMBL6536291 0.84 ALDH1A1 (0.51) ALDH1A1LMNAKMT2AMAPTTSHR
SCHEMBL28689326 0.83 ALDH1A1 (0.52) ALDH1A1LMNAKMT2AMAPTTSHR
SCHEMBL3146763 0.82 ALDH1A1 (0.57) ALDH1A1LMNAKMT2AMAPTTSHR
SCHEMBL6652799 0.80 KMT2A (0.50) ALDH1A1KMT2ATHRBMAPTTSHR
SCHEMBL15256939 0.80 ALDH1A1 (0.59) ALDH1A1LMNAKMT2AMAPTTSHR
SCHEMBL31337846 0.80 ALDH1A1 (0.59) ALDH1A1LMNAKMT2AMAPTTSHR
SCHEMBL8548860 0.80 ALDH1A1 (0.44) ALDH1A1LMNAKMT2ATHRBMAPT

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
WO-2012010918-A2 OPTICAL DEVICES MEDICONTUR ORVOSTECHNIKAI KFT. (HU) 2012-01-26 WO disclosed
EP-0724503-A1 ABRASIVE ARTICLES INCORPORATING ADDITION POLYMERIZABLE RESINS AND REACTIVE DILUENTS, AND METHODS OF MAKING SAID ABRASIVE ARTICLES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-08-07 EP disclosed
WO-1995011774-A1 ABRASIVE ARTICLES INCORPORATING ADDITION POLYMERIZABLE RESINS AND REACTIVE DILUENTS, AND METHODS OF MAKING SAID ABRASIVE ARTICLES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-05-04 WO disclosed