SCHEMBL3516588

SCHEMBL3516588

CCC/C(C(=O)O)=C(\C(=O)O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.40
HDAC2 Q92769 5/20 0.40
HDAC3 O15379 4/20 0.40
HDAC8 Q9BY41 4/20 0.40
FFAR3 O14843 3/20 0.40
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
THRB P10828 1/20 0.36
PGGT1B P53609 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
GRIK1 P39086 1/20 0.31
GRIA4 P48058 1/20 0.31
GRIK3 Q13003 1/20 0.31
GRIK5 Q16478 1/20 0.31
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 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
SCHEMBL3516594 1.00 HDAC1 (0.40) HDAC1HDAC2HDAC3HDAC8FFAR3
SCHEMBL3518737 0.87 FNTA (0.47) FNTAFNTBTHRBPGGT1BCES2
SCHEMBL3518731 0.87 FNTA (0.47) FNTAFNTBTHRBPGGT1BCES2
SCHEMBL3515211 0.84 FNTA (0.58) FNTAFNTBTHRBPGGT1BTSHR
SCHEMBL3513703 0.84 FNTA (0.58) FNTAFNTBTHRBPGGT1BTSHR
SCHEMBL3515208 0.84 FNTA (0.58) FNTAFNTBTHRBPGGT1BTSHR
SCHEMBL3513705 0.84 FNTA (0.58) FNTAFNTBTHRBPGGT1BTSHR
SCHEMBL3516699 0.82 FNTA (0.32) FNTAFNTBCA1
SCHEMBL3516694 0.82 FNTA (0.32) FNTAFNTBCA1
SCHEMBL3516778 0.81 GRIK1 (0.38) FFAR3FNTAFNTBTHRBPGGT1B

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