SCHEMBL5859538

SCHEMBL5859538

C=CN(C)C(=O)CC=CN1CCCC1=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
LMNA P02545 2/20 0.32
KMT2A Q03164 2/20 0.31
PIK3CD O00329 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31

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
SCHEMBL28210831 0.77 TSHR (0.51) TSHRLMNAKMT2APIK3CD
SCHEMBL27747086 0.76 TSHR (0.41) TSHRLMNAKMT2APIK3CDCA12
SCHEMBL578210 0.74 TSHR (0.35) TSHRLMNAKMT2A
SCHEMBL6409045 0.74 BRD4 (0.32) TSHRLMNACA12CA1CA2
SCHEMBL4607227 0.74 KMT2A (0.40) TSHRLMNAKMT2APIK3CDCA12
SCHEMBL360777 0.71 PIK3CD (0.35) TSHRLMNAKMT2APIK3CD
SCHEMBL12004405 0.70 TSHR (0.40) TSHRLMNAKMT2APIK3CDCA12
SCHEMBL6860222 0.70 PIK3CD (0.41) TSHRLMNAKMT2APIK3CDCA12
SCHEMBL11976728 0.70 PIK3CD (0.41) TSHRLMNAKMT2APIK3CDCA12
SCHEMBL6543603 0.70 PIK3CD (0.41) TSHRLMNAKMT2APIK3CDCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143482-A1 Method for producing superabsorbing polymers VEPETEX B.V. (NL) 2005-06-30 US claimed
EP-1522545-A1 Method for producing superabsorbing polymers Vepetex B.V. (NL) 2005-04-13 EP claimed
US-6986855-B1 Structural and optical applications for shape memory polymers (SMP) CORNERSTONE RESEARCH GROUP (US) 2006-01-17 US disclosed