SCHEMBL4696379

SCHEMBL4696379

CC(=O)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H](OS(=O)(=O)c2ccc(C)cc2)[C@@H]1OC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
THRB P10828 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HIF1A Q16665 1/20 0.48
CA1 P00915 13/20 0.45
CA2 P00918 13/20 0.45
CA9 Q16790 11/20 0.45
CA12 O43570 10/20 0.45
CA14 Q9ULX7 8/20 0.45
TK2 O00142 2/20 0.42
CA4 P22748 2/20 0.42
CA5A P35218 2/20 0.42
CA7 P43166 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
PTGS2 P35354 1/20 0.41

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
SCHEMBL2589830 0.97 LMNA (0.46) LMNATHRBSMN1; SMN2HIF1ACA1
SCHEMBL2583201 0.90 LMNA (0.44) LMNATHRBSMN1; SMN2HIF1ACA1
SCHEMBL2583586 0.90 LMNA (0.44) LMNATHRBSMN1; SMN2HIF1ACA1
SCHEMBL2577478 0.90 LMNA (0.44) LMNATHRBSMN1; SMN2HIF1ACA1
SCHEMBL2802670 0.90 LMNA (0.44) LMNATHRBSMN1; SMN2HIF1ACA1
SCHEMBL2579337 0.90 LMNA (0.44) LMNATHRBSMN1; SMN2HIF1ACA1
SCHEMBL2584889 0.89 LMNA (0.44) LMNATHRBSMN1; SMN2HIF1ACA1
SCHEMBL2585283 0.88 LMNA (0.43) LMNATHRBSMN1; SMN2HIF1ACA1
SCHEMBL2580963 0.88 LMNA (0.43) LMNATHRBSMN1; SMN2HIF1ACA1
SCHEMBL13714440 0.88 LMNA (0.59) LMNATHRBSMN1; SMN2HIF1ATK2

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-8754179-B2 Light activated shape memory co-polymers CORNERSTONE RESEARCH GROUP, INC. (US) 2014-06-17 US disclosed
US-20080021166-A1 Light Activated Shape Memory Co-Polymers GOVERNMENT OF THE UNITED STATES AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE 2008-01-24 US disclosed