SCHEMBL16617552

SCHEMBL16617552

CCN(CCOC(C)C)c1cccc(N)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
RECQL P46063 2/20 0.36
PSMD14 O00487 1/20 0.36
MAPK1 P28482 1/20 0.36
GFER P55789 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 1/20 0.36
S100B P04271 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NLRP3 Q96P20 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CASP1 P29466 1/20 0.31
MAPT P10636 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
SCHEMBL16617551 0.83 CYP3A4 (0.42) CYP3A4ALDH1A1TSHRL3MBTL1RECQL
SCHEMBL16617207 0.82 TLR8 (0.36) CYP3A4ALDH1A1TSHRL3MBTL1RECQL
SCHEMBL31022226 0.81 TSHR (0.47) ALDH1A1TSHRMAPK1TAAR1NPC1
SCHEMBL27991423 0.81 CYP3A4 (0.40) CYP3A4ALDH1A1TSHRL3MBTL1RECQL
SCHEMBL16617493 0.79 CYP3A4 (0.47) CYP3A4ALDH1A1TSHRL3MBTL1RECQL
SCHEMBL29931735 0.79 ALDH1A1 (0.59) CYP3A4ALDH1A1TSHRL3MBTL1RECQL
SCHEMBL1413227 0.79 ALDH1A1 (0.59) CYP3A4ALDH1A1TSHRL3MBTL1RECQL
SCHEMBL18831010 0.78 MEN1 (0.40) CYP3A4ALDH1A1TSHRGFERMEN1
SCHEMBL16618009 0.78 ALDH1A1 (0.40) CYP3A4ALDH1A1TSHRL3MBTL1RECQL
Hydrochloric Acid SCHEMBL6946148 0.77 CYP3A4 (0.57) CYP3A4ALDH1A1TSHRL3MBTL1RECQL

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-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
CN-104350106-A Laundry care compositions containing dyes PROCTER & GAMBLE 2015-02-11 CN disclosed
CN-104220535-A Carboxylate dyes MILLIKEN & CO 2014-12-17 CN disclosed