SCHEMBL818647

SCHEMBL818647

CC(c1cc(N2C(=O)c3ccc([C@@](C)(c4ccc5c(c4)C(=O)N(C(C)(C)C)C5=O)C(F)(F)F)cc3C2=O)cc(N2C(=O)c3ccc([C@](C)(c4ccc5c(c4)C(=O)N(C(C)(C)C)C5=O)C(F)(F)F)cc3C2=O)c1)(c1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O)c1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 4/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.40
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
POLB P06746 1/20 0.34
GFER P55789 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
JUN P05412 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
MEN1 O00255 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
SCHEMBL818933 0.90 CA9 (0.42) CA9CA12CA1CA2RAB9A
SCHEMBL819232 0.77 CA9 (0.33) CA9CA12CA1CA2
SCHEMBL26757094 0.75 ALDH1A1 (0.49) CA9CA12CA1CA2RAB9A
SCHEMBL18391988 0.74 CA9 (0.53) CA9CA12CA1CA2RAB9A
SCHEMBL1786408 0.74 RAB9A (0.43) CA9CA12CA1CA2RAB9A
SCHEMBL29311930 0.73 CA9 (0.49) CA9CA12CA1CA2ALDH1A1
SCHEMBL17487041 0.72 ALDH1A1 (0.49) CA9CA12CA1CA2RAB9A
SCHEMBL26223788 0.72 CA9 (0.48) CA9CA12CA1CA2RAB9A
SCHEMBL14726193 0.72 ALDH1A1 (0.46) CA9CA12CA1POLBALDH1A1
SCHEMBL20286680 0.71 MAPK1 (0.44) CA9CA12CA1CA2RAB9A

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