SCHEMBL22129339

SCHEMBL22129339

C=CC(C)CCC(=C)C(=O)OC1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.37
EPHX1 P07099 2/20 0.36
HTT P42858 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL5158628 0.85 NAAA (0.41) NAAAEPHX1HTTCYP19A1CYP2C19
SCHEMBL29010448 0.79 NAAA (0.42) NAAAEPHX1HTTCYP19A1CYP2C19
SCHEMBL2859456 0.78 NAAA (0.33) NAAAEPHX1CYP19A1
SCHEMBL1401825 0.78 NAAA (0.41) NAAAEPHX1HTTCYP19A1CYP2C19
SCHEMBL1785208 0.77 NAAA (0.38) NAAAEPHX1HTTCYP19A1CYP2C19
SCHEMBL29117582 0.77 NAAA (0.51) NAAAEPHX1HTTCYP19A1CYP2C19
SCHEMBL2090330 0.77 NAAA (0.51) NAAAEPHX1HTTCYP19A1CYP2C19
SCHEMBL2340701 0.75 EPHX1 (0.42) NAAAEPHX1HTTCYP19A1CYP2C19
SCHEMBL632277 0.75 NAAA (0.50) NAAAEPHX1HTTCYP19A1CYP2C19
SCHEMBL9009690 0.74 NAAA (0.57) NAAAEPHX1HTTCYP2C19ALDH1A1

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-2020125714-A1 TWO-COMPONENT AQUEOUS POLYURETHANE COATING COMPOSITION AND LOW-GLOSS COATING FORMED THEREBY 广东华润涂料有限公司 2020-06-25 WO disclosed
CN-103959383-A Holographic medium having a protective layer BAYER IP GMBH 2014-07-30 CN disclosed
CN-103261251-A Method for the production of adhesive-coated articles, articles obtainable thereby and their use BAYER IP GMBH 2013-08-21 CN disclosed