SCHEMBL16617207

SCHEMBL16617207

CCN(CCOCCC(C)C)c1cccc(N)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.36
CYP3A4 P08684 3/20 0.36
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
TP53 P04637 1/20 0.33
PSMD14 O00487 1/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
GFER P55789 1/20 0.33
S100B P04271 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
CSF3R Q99062 1/20 0.32
MCHR1 Q99705 1/20 0.32
SYK P43405 1/20 0.32
KDM4E B2RXH2 3/20 0.31
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 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
SCHEMBL16618015 0.91 TLR8 (0.36) TLR8CYP3A4TDP1TSHRL3MBTL1
SCHEMBL27991423 0.86 CYP3A4 (0.40) TLR8CYP3A4ALDH1A1TDP1TSHR
SCHEMBL16617552 0.82 CYP3A4 (0.39) CYP3A4ALDH1A1TDP1TSHRL3MBTL1
SCHEMBL16617551 0.80 CYP3A4 (0.42) CYP3A4ALDH1A1TDP1TSHRL3MBTL1
SCHEMBL16617493 0.76 CYP3A4 (0.47) CYP3A4ALDH1A1TDP1TSHRL3MBTL1
SCHEMBL29931735 0.75 ALDH1A1 (0.59) CYP3A4ALDH1A1TDP1TSHRL3MBTL1
SCHEMBL1413227 0.75 ALDH1A1 (0.59) CYP3A4ALDH1A1TDP1TSHRL3MBTL1
SCHEMBL16618009 0.74 ALDH1A1 (0.40) CYP3A4ALDH1A1TDP1TSHRL3MBTL1
SCHEMBL16618016 0.74 ALOX15 (0.42) CYP3A4ALDH1A1TSHRTP53RECQL
SCHEMBL1498794 0.74 CYP3A4 (0.41) CYP3A4ALDH1A1TDP1TSHRTP53

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-2828339-B1 CARBOXYLATE DYES MILLIKEN & CO (US) 2018-10-31 EP disclosed
US-9187717-B2 Carboxylate dyes MILLIKEN & COMPANY (US) 2015-11-17 US disclosed
US-20150099869-A1 Carboxylate Dyes MILLIKEN & COMPANY 2015-04-09 US disclosed