SCHEMBL3977301

SCHEMBL3977301

O=C(OCC1CO1)C1=CCCCCC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
CTSK P43235 1/20 0.40
MGLL Q99685 5/20 0.40
ALDH1A1 P00352 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
DHFR P00374 1/20 0.36

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
SCHEMBL13006061 0.98 HDAC4 (0.45) HDAC4HDAC2HDAC8HDAC6TP53
SCHEMBL380904 0.94 TP53 (0.44) HDAC4HDAC2HDAC8HDAC6TP53
Vinyl Chloride SCHEMBL8670745 0.86 ALDH1A1 (0.38) HDAC4HDAC2HDAC8HDAC6TP53
SCHEMBL432930 0.85 ALDH1A1 (0.43) TP53CYP3A4MGLLALDH1A1DHFR
SCHEMBL15274799 0.82 HDAC4 (0.38) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL7557454 0.81 ALDH1A1 (0.52) HDAC4HDAC2HDAC8HDAC6TP53
Acrylic Acid Methyl Ester SCHEMBL1470696 0.81 ALDH1A1 (0.37) HDAC4HDAC2HDAC8HDAC6TP53
Styrene SCHEMBL2876178 0.80 MGLL (0.43) MGLLDHFR
SCHEMBL15274789 0.78 HDAC4 (0.37) HDAC4HDAC2HDAC8HDAC6CTSK
Vinyl Chloride SCHEMBL9574774 0.78 ALDH1A1 (0.41) TP53CYP3A4MGLLALDH1A1DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2173314-B1 VAPORIZER SOLUTION, AND DYEING METHOD HENKEL AG & CO KGAA (DE) 2014-07-23 EP disclosed
EP-1711156-B1 NACREOUS LUSTER-EFFECT DYE FOR KERATIN FIBERS PROCTER & GAMBLE (US) 2009-05-06 EP disclosed
EP-1670423-B1 DYE-CONTAINING PELLETS FOR DYEING KERATIN FIBRES WELLA AG (DE) 2008-10-08 EP disclosed
EP-1584323-B1 Use of N-hydroxyalkyl-O-benzylchitosans in hair treatment WELLA AG (DE) 2007-10-24 EP disclosed
EP-1584323-A1 Use of N-hydroxyalkyl-O-benzylchitosans in hair treatment Wella Aktiengesellschaft (DE) 2005-10-12 EP disclosed