SCHEMBL16618015

SCHEMBL16618015

CCCN(CCOCCC(C)C)c1cccc(N)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 1/20 0.35
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
CSF3R Q99062 1/20 0.32
MCHR1 Q99705 1/20 0.31
SYK P43405 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ALOX15 P16050 1/20 0.30
HTR7 P34969 1/20 0.30

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
SCHEMBL16617207 0.91 TLR8 (0.36) TLR8TDP1TSHRTP53CYP3A4
SCHEMBL16618016 0.85 ALOX15 (0.42) TSHRTP53CYP3A4SYKKDM4E
SCHEMBL10139683 0.81 CYP3A4 (0.42) TDP1TSHRTP53CYP3A4SYK
SCHEMBL16618104 0.80 TSHR (0.40) TSHRTP53CYP3A4MAPTHTR7
SCHEMBL27991423 0.79 CYP3A4 (0.40) TLR8TDP1TSHRTP53CYP3A4
SCHEMBL16617357 0.75 TSHR (0.42) TSHRTP53CYP3A4KDM4EMAPT
SCHEMBL16617470 0.75 TSHR (0.41) TLR8TSHRTP53CYP3A4MAPT
SCHEMBL16617493 0.75 CYP3A4 (0.47) TDP1TSHRTP53CYP3A4SYK
SCHEMBL16576516 0.75 APP (0.38) TDP1TSHRTP53CYP3A4SYK
SCHEMBL16616912 0.74 ALDH1A1 (0.37) TSHRTP53CYP3A4KDM4ENPC1

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