SCHEMBL9508031

SCHEMBL9508031

CC(C)(C)OC(=O)C(O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.39
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA12 O43570 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
CYP2D6 P10635 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
NOS1 P29475 2/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
HDAC3 O15379 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
SCHEMBL8030378 0.85 HTT (0.40) DGAT1KMT2ALMNAUSP2SMN1; SMN2
SCHEMBL1845280 0.85 HTT (0.40) DGAT1KMT2ALMNAUSP2SMN1; SMN2
SCHEMBL19407016 0.85 HTT (0.40) DGAT1KMT2ALMNAUSP2SMN1; SMN2
SCHEMBL8028869 0.85 HTT (0.40) DGAT1KMT2ALMNAUSP2SMN1; SMN2
SCHEMBL305050 0.80 TP53 (0.38) DGAT1KMT2ALMNACA12CA14
SCHEMBL1332536 0.80 TP53 (0.38) DGAT1KMT2ALMNACA12CA14
SCHEMBL1953733 0.80 TP53 (0.38) DGAT1KMT2ALMNACA12CA14
SCHEMBL11855010 0.78 CA1 (0.39) DGAT1KMT2ALMNASMN1; SMN2CA12
SCHEMBL18916085 0.78 DGAT1 (0.36) DGAT1KMT2ALMNACA12CA14
SCHEMBL4671964 0.78 CA1 (0.39) DGAT1KMT2ALMNASMN1; SMN2CA12

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-0401533-B1 CONTINUOUS PROCESS FOR THE PREPARATION OF GLYOXYLIC ACID Chemie Linz Gesellschaft m.b.H. (AT) 1993-06-30 EP disclosed
EP-0401533-A1 Continuous process for the preparation of glyoxylic acid Chemie Linz Gesellschaft m.b.H. (AT) 1990-12-12 EP disclosed