SCHEMBL19986832

SCHEMBL19986832

CCC(C)(C)NC(=O)C1(C(=O)O)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
EPHX1 P07099 1/20 0.33
HTT P42858 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL7438262 0.75 CYP3A4 (0.51) POLBCYP2C19
SCHEMBL12335915 0.71 HPGD (0.38) HPGDL3MBTL1KDM4EPOLBEPHX1
SCHEMBL12335914 0.71 HPGD (0.40) HPGDL3MBTL1KDM4EPOLBEPHX1
Hydrochloric Acid SCHEMBL27925511 0.70 CYP3A4 (0.38) CYP2C19
SCHEMBL6660210 0.69 CYP2C19 (0.35) ADORA3CYP2C19
Methyl Alcohol SCHEMBL2126883 0.68 CYP2C19 (0.42) CYP2C19NPSR1
Cyclohexane SCHEMBL1430293 0.68 CYP2C19 (0.42) CYP2C19NPSR1
Methyl Alcohol SCHEMBL16395828 0.68 CYP2C19 (0.42) CYP2C19NPSR1
SCHEMBL13543678 0.67 CYP2C19 (0.35) CYP2C19
SCHEMBL31255910 0.67 CYP2C19 (0.40) CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180081273-A1 RESIN COMPOSITION, METHOD FOR FORMING PATTERN USING THE SAME, AND METHOD FOR SYNTHESIZING POLYMER NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-03-22 US disclosed