SCHEMBL3697668

SCHEMBL3697668

CCCCN(c1ccccc1)C(C=O)CCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
ESR1 P03372 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.36
JAK2 O60674 1/20 0.36
RAB9A P51151 1/20 0.36
PAX8 Q06710 1/20 0.36
ALDH1A1 P00352 1/20 0.35
ADRB2 P07550 1/20 0.35
TP53 P04637 1/20 0.35
CASP1 P29466 1/20 0.35
BRCA1 P38398 1/20 0.35
CASP7 P55210 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CTSK P43235 4/20 0.34
GAA P10253 2/20 0.33
CHRM2 P08172 1/20 0.33

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
SCHEMBL8470763 0.83 TP53 (0.33) ALDH1A1TP53SMN1; SMN2CTSK
SCHEMBL13503172 0.74 TAAR1 (0.46) TDP1ESR1MEN1KMT2ANPSR1
SCHEMBL11325848 0.73 SIGMAR1 (0.43) TDP1ESR1MEN1KMT2ANPSR1
SCHEMBL303580 0.73 MEN1 (0.33) TDP1ESR1MEN1KMT2ANPSR1
SCHEMBL8436010 0.72 TDP1 (0.38) TDP1ESR1MEN1KMT2ANPSR1
SCHEMBL7163078 0.72 NPC1 (0.39) TDP1ESR1MEN1KMT2ANPSR1
SCHEMBL11576636 0.71 NPC1 (0.41) TDP1ESR1MEN1KMT2ANPSR1
SCHEMBL1674606 0.71 ESR1 (0.42) TDP1ESR1MEN1KMT2ANPSR1
SCHEMBL3342832 0.71 ALDH1A1 (0.45) TDP1ESR1NPC1JAK2RAB9A
SCHEMBL3342836 0.71 ALDH1A1 (0.45) TDP1ESR1NPC1JAK2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007018394-A9 HIGHLY ELASTIC POLYVINYL CHLORIDE COMPOSITION AND PRODUCTS PREPARED USING THE SAME LG CHEM, LTD. (KR) 2010-12-02 WO disclosed
EP-1913081-A1 HIGHLY ELASTIC POLYVINYL CHLORIDE COMPOSITION AND PRODUCTS PREPARED USING THE SAME LG Chem. Ltd. (KR) 2008-04-23 EP disclosed
WO-2007018394-A1 HIGHLY ELASTIC POLYVINYL CHLORIDE COMPOSITION AND PRODUCTS PREPARED USING THE SAME LG CHEM, LTD. (KR) 2007-02-15 WO disclosed
US-20070037929-A1 Highly elastic polyvinyl chloride composition and products prepared using the same LG CHEM, LTD (KR) 2007-02-15 US disclosed