SCHEMBL819167

SCHEMBL819167

Cc1cc(C)c(N2C(=O)c3ccc([C@](C)(c4ccc5c(c4)C(=O)N(c4c(C)cc(C)c(N6C(=O)c7ccc([C@](C)(c8ccc9c(c8)C(=O)NC9=O)C(F)(F)F)cc7C6=O)c4C)C5=O)C(F)(F)F)cc3C2=O)c(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.33
DPP4 P27487 2/20 0.33
CA9 Q16790 3/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CA2 P00918 1/20 0.32
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP2 O95551 1/20 0.31
POLB P06746 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30

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
SCHEMBL18068730 1.00 ANPEP (0.33) ANPEPDPP4CA9CA12CA1
SCHEMBL785685 0.90 ANPEP (0.34) ANPEPDPP4CA9CA12CA1
SCHEMBL18136214 0.89 ANPEP (0.34) ANPEPDPP4CA9CA12CA1
SCHEMBL16521140 0.89 ANPEP (0.36) ANPEPDPP4CA9CA12CA1
SCHEMBL14727030 0.89 ANPEP (0.36) ANPEPDPP4CA9CA12CA1
SCHEMBL26077297 0.86 TDP2 (0.34) ANPEPDPP4TDP2
SCHEMBL16521141 0.86 ANPEP (0.33) ANPEPDPP4CA9CA12CA1
SCHEMBL26489721 0.86 ANPEP (0.33) ANPEPDPP4CA9CA12CA1
SCHEMBL18068726 0.84 CA9 (0.44) CA9CA12CA1MEN1KMT2A
SCHEMBL12691343 0.83 ANPEP (0.36) ANPEPDPP4CA9CA12CA1

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-8664335-B2 Thermally crosslinked polymeric compositions and methods of making the same GEORGIA TECH RESEARCH CORPORATION (US) 2014-03-04 US disclosed
US-20110269915-A1 THERMALLY CROSSLINKED POLYMERIC COMPOSITIONS AND METHODS OF MAKING THE SAME GEORGIA TECH RESEARCH CORPORATION (US) 2011-11-03 US disclosed