SCHEMBL4073058

SCHEMBL4073058

COC(=O)CCNC(CO)(CO)CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
CA12 O43570 6/20 0.47
CA14 Q9ULX7 6/20 0.47
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CA7 P43166 4/20 0.38
CA9 Q16790 4/20 0.38
LMNA P02545 3/20 0.38
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.38
CA2 P00918 2/20 0.37
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
EPHX2 P34913 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36

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
SCHEMBL23910549 0.82 TDP1 (0.37) TSHRCA12CA14KMT2AMEN1
Hydrochloric Acid SCHEMBL8024182 0.79
SCHEMBL11429347 0.79 TSHR (0.46) TSHRCA12CA14KMT2AMEN1
SCHEMBL18857802 0.77 TET2 (0.46) TSHRCA12CA14KMT2AMEN1
SCHEMBL420456 0.77 TSHR (0.55) TSHRCA12CA14KMT2AMEN1
SCHEMBL8024030 0.75 LMNA (0.38) TSHRLMNAKDM4E
SCHEMBL21787660 0.73
SCHEMBL14565928 0.72 TSHR (0.54) TSHRCA12CA14KMT2AMEN1
SCHEMBL1188784 0.72 TSHR (0.48) TSHRCA12CA14KMT2AMEN1
SCHEMBL19961106 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009114854-A1 BIODEGRADABLE CROSS-LINKED BRANCHED POLY (ALKYLENE IMINES) EGEN, INC. (US) 2009-09-17 WO disclosed