SCHEMBL7065839

SCHEMBL7065839

CC=C(C)C(=O)O.CCCCC(CC)CC=C(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.41
ALDH1A1 P00352 4/20 0.40
TSHR P16473 3/20 0.40
CYP3A4 P08684 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
ATM Q13315 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.34
CA1 P00915 1/20 0.33
RECQL P46063 1/20 0.33
EP300 Q09472 1/20 0.33
LCK P06239 1/20 0.33
PPARD Q03181 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 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
SCHEMBL8846016 1.00 CA2 (0.41) CA2ALDH1A1TSHRCYP3A4TDP1
SCHEMBL22168 0.95 CA2 (0.44) CA2ALDH1A1TSHRCYP3A4TDP1
SCHEMBL22166 0.95 CA2 (0.44) CA2ALDH1A1TSHRCYP3A4TDP1
Ethylene Glycol SCHEMBL7086376 0.90 ALDH1A1 (0.44) CA2ALDH1A1TSHRCYP3A4TDP1
SCHEMBL15568045 0.90 LCK (0.42) CA2ALDH1A1TSHRCYP3A4TDP1
SCHEMBL14991045 0.90 LCK (0.42) CA2ALDH1A1TSHRCYP3A4TDP1
SCHEMBL9817730 0.89 CA2 (0.40) CA2ALDH1A1TSHRCYP3A4TDP1
SCHEMBL9817891 0.89 CA2 (0.40) CA2ALDH1A1TSHRCYP3A4TDP1
Methacrylic Acid SCHEMBL10791618 0.89 TSHR (0.42) CA2ALDH1A1TSHRCYP3A4TDP1
Methacrylic Acid SCHEMBL10791638 0.89 TSHR (0.42) CA2ALDH1A1TSHRCYP3A4TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003048176-A1 CATALYST FOR PRODUCING (CO)POLYMERS OF (METH)ACRYLIC COMPOUNDS Röhm GmbH & Co. KG (DE) 2003-06-12 WO disclosed
EP-0708115-B1 Alpha, omega-polymethacrylate dicarboxylic acids, manufacture and use thereof as dicarboxylic acid components for the manufacture or modification of polyesters, polyurethanes or polyepoxides GOLDSCHMIDT AG TH (DE) 1997-07-16 EP disclosed
EP-0708115-A2 Alpha, omega-polymethacrylate dicarboxylic acids, manufacture and use thereof as dicarboxylic acid components for the manufacture or modification of polyesters, polyurethanes or polyepoxides Th. Goldschmidt AG (DE) 1996-04-24 EP disclosed