SCHEMBL6404218

SCHEMBL6404218

CCCCN(CCCC)c1ccc2c(c1)Oc1cc(Cl)c(C)cc1C21OC(=O)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.49
MAPT P10636 6/20 0.47
FTO Q9C0B1 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
CYP2C19 P33261 3/20 0.47
HTT P42858 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
HPGD P15428 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
SMAD3 P84022 1/20 0.47
PRMT1 Q99873 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
LMNA P02545 5/20 0.44
ALDH1A1 P00352 3/20 0.44
USP2 O75604 1/20 0.44
NPSR1 Q6W5P4 4/20 0.42
POLB P06746 3/20 0.42
ALOX12 P18054 1/20 0.42

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
SCHEMBL6403996 0.96 CYP3A4 (0.49) CYP3A4MAPTFTOMEN1KMT2A
SCHEMBL21440430 0.90 CYP3A4 (0.57) CYP3A4MAPTFTOMEN1KMT2A
SCHEMBL275322 0.89 CYP3A4 (0.56) CYP3A4MAPTFTOMEN1KMT2A
SCHEMBL29882971 0.86 CYP3A4 (0.49) CYP3A4MAPTFTOMEN1KMT2A
SCHEMBL27083121 0.86 CYP3A4 (0.49) CYP3A4MAPTFTOMEN1KMT2A
SCHEMBL29562657 0.86 CYP3A4 (0.53) CYP3A4MAPTFTOMEN1KMT2A
SCHEMBL6411659 0.86 CYP3A4 (0.53) CYP3A4MAPTFTOMEN1KMT2A
SCHEMBL14338430 0.86 CYP3A4 (0.57) CYP3A4MAPTFTOMEN1KMT2A
SCHEMBL30010023 0.86 CYP3A4 (0.45) CYP3A4MAPTFTOMEN1KMT2A
SCHEMBL275742 0.85 CYP3A4 (0.54) CYP3A4MAPTFTOMEN1KMT2A

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
US-20150090159-A1 RED THERMOCHROMIC DYES AND THEIR INK COMPOSITIONS CHROMATIC TECHNOLOGIES, INC. 2015-04-02 US disclosed
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