SCHEMBL9488644

SCHEMBL9488644

CCOC(=O)C(C)O.CCOCC(CC)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.36
MAPK1 P28482 1/20 0.36
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
TP53 P04637 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32

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
SCHEMBL60732 0.85 CA2 (0.46) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL169923 0.85 CA2 (0.46) CA2MAPK1SLC1A3SLC1A2SLC1A1
Ethylene Glycol SCHEMBL5068932 0.80 CA2 (0.42) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL4591693 0.80 HSD17B10 (0.45) MAPK1TDP1ALDH1A1LMNAHSD17B10
SCHEMBL31664724 0.79 CA2 (0.36) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL18065074 0.79 ALDH1A1 (0.40) CA2MEN1NPC1KMT2AALDH1A1
Ether SCHEMBL3622965 0.79 ALDH1A1 (0.43) TP53MEN1KMT2AALDH1A1LMNA
Lactic Acid SCHEMBL370698 0.79 TP53 (0.55) TP53MEN1NPC1KMT2AALDH1A1
Hydrogen Peroxide SCHEMBL5367632 0.79 ALDH1A1 (0.48) TP53MEN1NPC1KMT2AALDH1A1
Methoxymethane SCHEMBL14988195 0.78 ALDH1A1 (0.37) CA2MAPK1SLC1A3SLC1A2SLC1A1

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
US-5248585-A POLYPHOSPHAZENE BINDER RESINS FOR PHOTORESISTS COMPRISING AS PHOTOSENSITIZERS O-QUINONE DIAZIDE ESTERS HOECHST CELANESE CORPORATION (US) 1993-09-28 US disclosed
WO-1993012468-A1 POLYPHOSPHAZENE BINDER RESINS FOR PHOTORESISTS HOECHST CELANESE CORPORATION (US) 1993-06-24 WO disclosed