SCHEMBL5066367

SCHEMBL5066367

CC(C)(C)C(=O)NCCOCCOCCOCCOCCNC(=O)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 3/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
DRD4 P21917 3/20 0.34
DRD2 P14416 2/20 0.34
EPHX2 P34913 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL22821424 0.98 MEN1 (0.47) MEN1KMT2APOLBSMN1; SMN2KDM4E
SCHEMBL29339048 0.92 MEN1 (0.44) MEN1KMT2APOLBSMN1; SMN2KDM4E
SCHEMBL18792472 0.92 MEN1 (0.44) MEN1KMT2APOLBSMN1; SMN2KDM4E
SCHEMBL12195204 0.92 MEN1 (0.44) MEN1KMT2APOLBSMN1; SMN2KDM4E
SCHEMBL21842357 0.92 MEN1 (0.44) MEN1KMT2APOLBSMN1; SMN2KDM4E
SCHEMBL24925800 0.92 MEN1 (0.44) MEN1KMT2APOLBSMN1; SMN2KDM4E
SCHEMBL30556197 0.92 MEN1 (0.44) MEN1KMT2APOLBSMN1; SMN2KDM4E
SCHEMBL8404326 0.92 MEN1 (0.44) MEN1KMT2APOLBSMN1; SMN2KDM4E
SCHEMBL17035294 0.92 MEN1 (0.44) MEN1KMT2APOLBSMN1; SMN2KDM4E
SCHEMBL21472139 0.90 MEN1 (0.43) MEN1KMT2APOLBSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8172873-B2 Shape memory polymers UNIVERSITY OF ROCHESTER (US) 2012-05-08 US disclosed
US-20110251364-A1 Shape Memory Polymers NATIONAL SCIENCE FOUNDATION 2011-10-13 US disclosed
US-7935131-B2 Shape memory polymers UNIVERSITY OF ROCHESTER (US) 2011-05-03 US disclosed
US-20080177303-A1 Shape memory polymers ROCHESTER, UNIVERSITY OF 2008-07-24 US disclosed