SCHEMBL12673161

SCHEMBL12673161

CCC(=O)NCCOCCOCCOCCOCCNC(=O)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RECQL P46063 1/20 0.38
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CA2 P00918 3/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA4 P22748 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
EPHX2 P34913 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
SCHEMBL21842270 1.00 MEN1 (0.45) MEN1KMT2ARECQLPOLBSMN1; SMN2
SCHEMBL5066367 0.89 MEN1 (0.50) MEN1KMT2APOLBSMN1; SMN2EPHX2
SCHEMBL23190300 0.87 MEN1 (0.58) MEN1KMT2ARECQLSMN1; SMN2CA2
SCHEMBL22821424 0.87 MEN1 (0.47) MEN1KMT2APOLBSMN1; SMN2CA2
SCHEMBL12572605 0.87 MEN1 (0.58) MEN1KMT2ARECQLSMN1; SMN2CA2
SCHEMBL17035294 0.85 MEN1 (0.44) MEN1KMT2APOLBSMN1; SMN2EPHX2
SCHEMBL29339048 0.85 MEN1 (0.44) MEN1KMT2APOLBSMN1; SMN2EPHX2
SCHEMBL21538183 0.85 MEN1 (0.56) MEN1KMT2ARECQLPOLB
SCHEMBL17145177 0.84 MEN1 (0.61) MEN1KMT2ARECQLSMN1; SMN2EPHX2
SCHEMBL21992379 0.84 MEN1 (0.41) MEN1KMT2ARECQLPOLBSMN1; SMN2

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-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