SCHEMBL6409588

SCHEMBL6409588

CCCCN(CCCC)c1ccc2c(c1)Oc1ccc(Nc3ccccc3F)cc1C21OC(=O)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
FTO Q9C0B1 8/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
SMAD3 P84022 1/20 0.41
PRMT1 Q99873 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CA12 O43570 4/20 0.33
CA1 P00915 4/20 0.33
CA2 P00918 4/20 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
SCHEMBL30192749 0.92 CYP3A4 (0.44) CYP3A4FTOMAPTMEN1HTT
SCHEMBL30043282 0.92 CYP3A4 (0.44) CYP3A4FTOMAPTMEN1HTT
SCHEMBL512968 0.92 CYP3A4 (0.44) CYP3A4FTOMAPTMEN1HTT
SCHEMBL30657886 0.91 CYP3A4 (0.47) CYP3A4FTOMAPTMEN1HTT
SCHEMBL6408911 0.91 CYP3A4 (0.47) CYP3A4FTOMAPTMEN1HTT
SCHEMBL17863672 0.85 CYP3A4 (0.51) CYP3A4FTOMAPTMEN1HTT
SCHEMBL21440430 0.84 CYP3A4 (0.57) CYP3A4FTOMAPTMEN1HTT
SCHEMBL275322 0.83 CYP3A4 (0.56) CYP3A4FTOMAPTMEN1HTT
SCHEMBL30216168 0.83 CYP3A4 (0.46) CYP3A4FTOMAPTMEN1HTT
SCHEMBL1395591 0.83 CYP3A4 (0.46) CYP3A4FTOMAPTMEN1HTT

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
EP-1537853-A1 Use of a composition comprising a compound comprising a lacton ring and/or a corresponding coloring agent with an open ring for dyeing keratinuous fibers L'OREAL (FR) 2005-06-08 EP claimed
EP-1537853-A1 Use of a composition comprising a compound comprising a lacton ring and/or a corresponding coloring agent with an open ring for dyeing keratinuous fibers L'OREAL (FR) 2005-06-08 EP disclosed
US-5804529-A HEAT SENSITIVE RECORDING LAYER; BETWEEN TWO POLYMERIC OXYGEN BARRIER LAYERS MITSUBISHI PAPER MILLS LTD. (JP) 1998-09-08 US disclosed