SCHEMBL2770976

SCHEMBL2770976

CCCC(=C(C)C(=O)O)N(CCC)CCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
FNTA P49354 2/20 0.38
FNTB P49356 2/20 0.38
THRB P10828 1/20 0.38
PGGT1B P53609 1/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
FFAR3 O14843 3/20 0.37
HDAC3 O15379 3/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC2 Q92769 3/20 0.37
HDAC8 Q9BY41 3/20 0.37
TP53 P04637 2/20 0.34
CA1 P00915 2/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33

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
SCHEMBL8977562 1.00 CA12 (0.40) CA12CA2CA9ALDH1A1HPGD
SCHEMBL2124288 0.88 FNTA (0.44) CA12CA9ALDH1A1HPGDFNTA
SCHEMBL5065747 0.85 CA12 (0.41) CA12CA2CA9ALDH1A1HPGD
SCHEMBL3227783 0.85 CA12 (0.41) CA12CA2CA9ALDH1A1HPGD
SCHEMBL2770803 0.85 FNTA (0.39) CA12CA9ALDH1A1FNTAFNTB
SCHEMBL634778 0.85 FNTA (0.39) CA12CA9ALDH1A1FNTAFNTB
SCHEMBL9465796 0.82 CA12 (0.39) CA12CA2CA9ALDH1A1HPGD
SCHEMBL7635712 0.80 FNTA (0.44) CA12CA9ALDH1A1HPGDFNTA
SCHEMBL1932859 0.78 FNTA (0.41) ALDH1A1FNTAFNTBTHRBPGGT1B
SCHEMBL112390 0.78 FNTA (0.41) ALDH1A1FNTAFNTBTHRBPGGT1B

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-7723445-B2 Curable resin composition, molded product, and process for producing the same SHOWA HIGHPOLYMER CO., LTD. (JP) 2010-05-25 US disclosed
US-20090008834-A1 Curable resin composition, molded product, and process for producing the same SHOWA HIGHPOLYMER CO., LTD. (JP) 2009-01-08 US disclosed