SCHEMBL887119

SCHEMBL887119

NCCCCC(=O)OC(=O)CCCCN

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.55
CYP2D6 P10635 1/20 0.55
BLM P54132 3/20 0.52
LMNA P02545 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
ALDH1A1 P00352 2/20 0.52
THRB P10828 2/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
PLG P00747 1/20 0.52
ALOX15 P16050 1/20 0.52
SLC6A2 P23975 1/20 0.52
RECQL P46063 1/20 0.52
SLC6A3 Q01959 1/20 0.52
PAOX Q6QHF9 3/20 0.50
CYP1A2 P05177 2/20 0.50
TSHR P16473 3/20 0.43
GABRR3 A8MPY1 1/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43

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
SCHEMBL14322259 0.97 LMNA (0.56) NFKB1CYP2D6BLMLMNANPSR1
SCHEMBL28064250 0.97 LMNA (0.56) NFKB1CYP2D6BLMLMNANPSR1
SCHEMBL20767099 0.97 LMNA (0.56) NFKB1CYP2D6BLMLMNANPSR1
SCHEMBL4758861 0.97 LMNA (0.56) NFKB1CYP2D6BLMLMNANPSR1
SCHEMBL1442288 0.97 LMNA (0.56) NFKB1CYP2D6BLMLMNANPSR1
SCHEMBL27467045 0.97 LMNA (0.56) NFKB1CYP2D6BLMLMNANPSR1
SCHEMBL2030994 0.97 LMNA (0.56) NFKB1CYP2D6BLMLMNANPSR1
SCHEMBL7438483 0.97 LMNA (0.56) NFKB1CYP2D6BLMLMNANPSR1
SCHEMBL7250811 0.97 LMNA (0.56) NFKB1CYP2D6BLMLMNANPSR1
SCHEMBL10785185 0.97 LMNA (0.56) NFKB1CYP2D6BLMLMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190214145-A1 Method and systems for creating and screening patient metabolite profile to diagnose current medical condition, diagnose current treatment state and recommend new treatment regimen KUREK ITZHAK (US) 2019-07-11 US disclosed
US-8748130-B2 Human papillomavirus / Ii-Key hybrids and methods of use ANTIGEN EXPRESS, INC. (US) 2014-06-10 US disclosed
EP-2376622-A2 GREEN PROCESS AND COMPOSITIONS FOR PRODUCING POLY(5HV) AND 5 CARBON CHEMICALS Metalbolix Inc. (US) 2011-10-19 EP disclosed
EP-2344191-A1 HUMAN PAPILLOMAVIRUS / LI-KEY HYBRIDS AND METHODS OF USE Antigen Express, Inc. (US) 2011-07-20 EP disclosed
WO-2010068953-A2 GREEN PROCESS AND COMPOSITIONS FOR PRODUCING POLY(5HV) AND 5 CARBON CHEMICALS METABOLIX INC. (US) 2010-06-17 WO disclosed
US-20100080817-A1 HUMAN PAPILLOMAVIRUS / Ii-KEY HYBRIDS AND METHODS OF USE NUGENEREX IMMUNO-ONCOLOGY, INC. 2010-04-01 US disclosed
WO-2010027973-A1 HUMAN PAPILLOMAVIRUS / LI-KEY HYBRIDS AND METHODS OF USE ANTIGEN EXPRESS, INC. (US) 2010-03-11 WO disclosed