SCHEMBL3516367

SCHEMBL3516367

CC(C)CC/C(C(=O)O)=C(\C(=O)O)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.43
BLM P54132 1/20 0.32
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRB2 P47870 2/20 0.32
GABRA4 P48169 2/20 0.32
GABRE P78334 2/20 0.32
GABRA6 Q16445 2/20 0.32
GABRG1 Q8N1C3 2/20 0.32
GABRG3 Q99928 2/20 0.32
GABRQ Q9UN88 2/20 0.32
CYP1A2 P05177 1/20 0.32
TRPA1 O75762 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
SCHEMBL3516372 1.00 CA1 (0.43) CA1BLMGABRPGABRDGABRA1
SCHEMBL3516993 0.88 BLM (0.38) CA1BLMGABRPGABRDGABRA1
SCHEMBL8677168 0.84 CA1 (0.52) CA1BLMGABRPGABRDGABRA1
SCHEMBL8679322 0.84 CA1 (0.52) CA1BLMGABRPGABRDGABRA1
SCHEMBL8679323 0.84 CA1 (0.52) CA1BLMGABRPGABRDGABRA1
SCHEMBL3516694 0.80 FNTA (0.32) CA1
SCHEMBL3516699 0.80 FNTA (0.32) CA1
SCHEMBL3516594 0.80 HDAC1 (0.40) CA1
SCHEMBL3516588 0.80 HDAC1 (0.40) CA1
SCHEMBL17386531 0.77 ALDH1A1 (0.40)

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-8236917-B2 Compound having silsesquioxane skeleton and its polymer JNC CORPORATION (JP) 2012-08-07 US disclosed
US-20100240855-A1 Compound having silsesquioxane skeleton and its polymer JNC CORPORATION (JP) 2010-09-23 US disclosed