SCHEMBL5013249

SCHEMBL5013249

C=C(C)C(=O)NC(CCCCN)C(=O)O.C=C(C)C(=O)NCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.50
TGFBR1 P36897 1/20 0.49
SLC6A5 Q9Y345 1/20 0.43
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
SIRT6 Q8N6T7 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
CPB2 Q96IY4 6/20 0.38
RNPEP Q9H4A4 1/20 0.38
GNPAT O15228 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
GSR P00390 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
SCHEMBL5013251 1.00 FOLH1 (0.50) FOLH1TGFBR1SLC6A5ITGB3ITGA2B
SCHEMBL6579582 0.90 TGFBR1 (0.59) FOLH1TGFBR1SLC6A5SIRT6SIRT1
SCHEMBL1690444 0.90 TGFBR1 (0.59) FOLH1TGFBR1SLC6A5SIRT6SIRT1
SCHEMBL686694 0.90 TGFBR1 (0.59) FOLH1TGFBR1SLC6A5SIRT6SIRT1
SCHEMBL31571912 0.85 TGFBR1 (0.61) FOLH1TGFBR1SLC6A5SIRT6SIRT1
SCHEMBL31571914 0.84 TGFBR1 (0.59) FOLH1TGFBR1SLC6A5SIRT6SIRT1
SCHEMBL20018423 0.78 FOLH1 (0.69) FOLH1SLC6A5CPB2RNPEPGSR
SCHEMBL22365089 0.78 FOLH1 (0.69) FOLH1SLC6A5CPB2RNPEPGSR
SCHEMBL8376832 0.78 TGFBR1 (0.46) FOLH1TGFBR1SLC6A5SIRT6SIRT1
SCHEMBL1455716 0.78 FOLH1 (0.58) FOLH1TGFBR1SLC6A5SIRT6SIRT1

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-2008055482-A1 CONTACT LENS MATERIAL WOEHLK CONTACT-LINSEN GMBH (DE) 2008-05-15 WO disclosed