SCHEMBL11033729

SCHEMBL11033729

CCCCCCN(CCC#N)c1cccc(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
GPX4 P36969 2/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
RAB9A P51151 1/20 0.49
PAX8 Q06710 1/20 0.49
CNR2 P34972 1/20 0.40
GFER P55789 1/20 0.40
SLC16A3 O15427 2/20 0.39
SLC16A1 P53985 2/20 0.39
CRHR1 P34998 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39
LMNA P02545 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
USP2 O75604 1/20 0.34

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
SCHEMBL15263425 1.00 ALDH1A1 (0.49) ALDH1A1GPX4NPC1TP53RAB9A
SCHEMBL9655660 0.94 CRHR1 (0.42) ALDH1A1GPX4NPC1TP53RAB9A
SCHEMBL14606671 0.88 GFER (0.43) ALDH1A1GPX4NPC1TP53RAB9A
SCHEMBL15232530 0.88 ALDH1A1 (0.58) ALDH1A1GPX4NPC1TP53RAB9A
SCHEMBL28582298 0.88 ALDH1A1 (0.58) ALDH1A1GPX4NPC1TP53RAB9A
SCHEMBL14994805 0.88 ALDH1A1 (0.58) ALDH1A1GPX4NPC1TP53RAB9A
SCHEMBL28057991 0.88 ALDH1A1 (0.58) ALDH1A1GPX4NPC1TP53RAB9A
SCHEMBL17312248 0.88 ALDH1A1 (0.58) ALDH1A1GPX4NPC1TP53RAB9A
SCHEMBL8926268 0.88 GFER (0.43) ALDH1A1GPX4NPC1TP53RAB9A
SCHEMBL8227629 0.87 ALDH1A1 (0.56) ALDH1A1GPX4NPC1TP53RAB9A

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59093752-A None JP disclosed
JP-58103560-A None JP disclosed
EP-2828339-B1 CARBOXYLATE DYES MILLIKEN & CO (US) 2018-10-31 EP disclosed
CN-104220535-B Carboxylate dyes 美利肯公司 2017-03-22 CN disclosed
US-20160075977-A1 LAUNDRY CARE COMPOSITIONS CONTAINING DYES PROCTER & GAMBLE (US) 2016-03-17 US 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
EP-2828340-A1 LAUNDRY CARE COMPOSITIONS CONTAINING DYES The Procter & Gamble Company (US) 2015-01-28 EP disclosed
EP-2828339-A1 CARBOXYLATE DYES Milliken & Company (US) 2015-01-28 EP disclosed
US-20150000048-A1 LAUNDRY CARE COMPOSITIONS CONTAINING DYES THE PROCTER & GAMBLE COMPANY 2015-01-01 US disclosed
CN-104220535-A Carboxylate dyes MILLIKEN & CO 2014-12-17 CN disclosed
WO-2013142495-A1 CARBOXYLATE DYES MILLIKEN & COMPANY (US) 2013-09-26 WO disclosed
WO-2013142486-A1 LAUNDRY CARE COMPOSITIONS CONTAINING DYES THE PROCTER & GAMBLE COMPANY (US) 2013-09-26 WO disclosed
JP-S5993752-A MONOAZO DYE FOR SYNTHETIC FIBER GOSEI SENRIYOU GIJUTSU KENKYU KUMIAI 1984-05-30 JP disclosed
JP-S58103560-A MONOAZO DYE FOR SYNTHETIC FIBER GOSEI SENRIYOU GIJUTSU KENKYU KUMIAI 1983-06-20 JP disclosed