SCHEMBL15016331

SCHEMBL15016331

CCCCC(CC)CN(CC(CC)CCCC)C(=O)CC(=O)c1ccccc1.CCCCC(CC)CN(CC(CC)CCCC)C(=O)CC(=O)c1ccccc1.[Zn]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP3A4 P08684 3/20 0.43
LMNA P02545 3/20 0.43
MAPK1 P28482 2/20 0.43
CA2 P00918 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
CES1 P23141 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HDAC3 O15379 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC4 P56524 2/20 0.39

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
SCHEMBL15015867 0.99 ALDH1A1 (0.46) ALDH1A1KDM4ECYP3A4LMNAMAPK1
SCHEMBL29991145 0.86 ALDH1A1 (0.44) ALDH1A1KDM4ECYP3A4LMNAMAPK1
SCHEMBL29990910 0.84 TDP1 (0.46) ALDH1A1CYP3A4LMNAMAPK1MEN1
SCHEMBL9306882 0.82 ALDH1A1 (0.48) ALDH1A1KDM4ECYP3A4LMNAMAPK1
SCHEMBL23748009 0.80 ALDH1A1 (0.50) ALDH1A1KDM4ECYP3A4LMNAMAPK1
SCHEMBL9308145 0.80 CNR2 (0.50) ALDH1A1KDM4ECYP3A4LMNAMAPK1
SCHEMBL15016358 0.79 HPGD (0.50) ALDH1A1KDM4ECYP3A4MAPK1MEN1
SCHEMBL31093126 0.77 KMT2A (0.49) ALDH1A1KDM4ECYP3A4LMNAMAPK1
SCHEMBL11370051 0.77 HPGD (0.52) ALDH1A1KDM4ECYP3A4MAPK1MEN1
SCHEMBL15016377 0.77 ALDH1A1 (0.44) ALDH1A1KDM4ECYP3A4LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2791145-B1 ZINC(II) -COMPLEX-COMPOUNDS AS CATALYSTS FOR POLYURETAHNE-COMPOSITIONS SIKA TECH AG (CH) 2017-05-03 EP disclosed
EP-2791145-A1 ZINC(II) COMPLEX COMPOUNDS AS CATALYSTS FOR POLYURETHANE COMPOSITIONS Sika Technology AG (CH) 2014-10-22 EP disclosed
WO-2013087680-A1 ZINC(II) COMPLEX COMPOUNDS AS CATALYSTS FOR POLYURETHANE COMPOSITIONS SIKA TECHNOLOGY AG (CH) 2013-06-20 WO disclosed
EP-2604613-A1 Zinc(II) complexes as catalysts for polyurethane compositions Sika Technology AG (CH) 2013-06-19 EP disclosed