SCHEMBL5845372

SCHEMBL5845372

O=C(N(Cl)Cl)N(c1ccccc1Cl)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
ALDH1A1 P00352 2/20 0.33
BCL2A1 Q16548 1/20 0.33
POLB P06746 2/20 0.32
TSHR P16473 2/20 0.32
NPSR1 Q6W5P4 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
GSR P00390 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
LMNA P02545 1/20 0.30
ESR1 P03372 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
SCHEMBL9615908 0.81 NPSR1 (0.50) CES2CES1ALDH1A1POLBTSHR
SCHEMBL4199099 0.76 CES2 (0.40) CES2CES1ALDH1A1BCL2A1POLB
SCHEMBL9327892 0.71 POLB (0.41) CES2CES1ALDH1A1POLBTSHR
SCHEMBL6256662 0.70 CES2 (0.41) CES2CES1ALDH1A1POLBTSHR
Bicarbonate SCHEMBL29118429 0.67 ALDH1A1 (0.46) CES2CES1ALDH1A1POLBTSHR
SCHEMBL2092885 0.67 NPSR1 (0.50) CES2CES1ALDH1A1POLBNPSR1
SCHEMBL12550521 0.66 POLB (0.52) CES2CES1ALDH1A1POLBTSHR
SCHEMBL6002883 0.66 CES2 (0.41) CES2CES1ALDH1A1BCL2A1POLB
SCHEMBL28587764 0.66 ALDH1A1 (0.41) CES2CES1ALDH1A1BCL2A1POLB
SCHEMBL665305 0.66 ALDH1A1 (0.45) CES2CES1ALDH1A1BCL2A1POLB

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
US-7118608-B2 Self-powered, wearable personal air purifier WEND LLC 2006-10-10 US disclosed
US-20050223902-A1 Self-powered, wearable personal air purifier WEND LLC 2005-10-13 US disclosed
WO-2004033044-A1 SELF-POWERED, WEARABLE PERSONAL AIR PURIFIER FOR BREATHING AND BODY PROTECTION LOVELL WILLIAM S (US) 2004-04-22 WO disclosed
US-4046939-A OPEN-CELL POLYURETHANES HER MAJESTY THE QUEEN IN RIGHT OF CANADA (CA) 1977-09-06 US disclosed
US-4045609-A OPEN-CELL POLYURETHANE FOAM HER MAJESTY THE QUEEN IN RIGHT OF CANADA (CA) 1977-08-30 US disclosed