SCHEMBL7921048

SCHEMBL7921048

O=C(O)CCCCn1ccc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KRAS P01116 1/20 0.47
PLG P00747 2/20 0.44
PLAU P00749 2/20 0.44
ALOX5 P09917 1/20 0.43
EPHX2 P34913 1/20 0.43
KMO O15229 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HTR7 P34969 1/20 0.41

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
SCHEMBL10923807 0.89 HTR7 (0.51) KMOL3MBTL1HTR7
SCHEMBL7928062 0.85 ALOX5 (0.47) KRASPLGPLAUALOX5EPHX2
SCHEMBL6230447 0.84 PLG (0.46) KRASPLGPLAUHTR7
SCHEMBL14404541 0.83 PLG (0.44) KRASPLGPLAUHTR7
SCHEMBL10430002 0.83 PLG (0.46) KRASPLGPLAUHTR7
SCHEMBL3184801 0.82 KRAS (0.55) KRASPLGPLAU
SCHEMBL23902730 0.81 GLS (0.46) KRASPLGPLAUHTR7
SCHEMBL2263041 0.81 GLS (0.46) KRASPLGPLAUHTR7
SCHEMBL30241520 0.81 GLS (0.46) KRASPLGPLAUHTR7
SCHEMBL2479169 0.81 HTR7 (0.47) KRASPLGPLAUHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6239159-B1 SUBSTRATES FOR POLYMERASE AND TERMINAL TRANSFERASE ENZYMES. CAPABLE OF BASE-PAIRING WITH A NUCLEOTIDE RESIDUE IN A COMPLEMENTARY CHAIN OR BASE STACKING IN THE APPROPRIATE NUCLEIC ACID CHAIN, ADVANTAGE OVER CONVENTIONAL HAPTEN AMERSHAM PHARMACIA BIOTECH UK LIMITED (GB) 2001-05-29 US disclosed
EP-0885235-A1 NUCLEOSIDE ANALOGUES Amersham Pharmacia Biotech UK Limited (GB) 1998-12-23 EP disclosed
WO-1997028176-A1 NUCLEOSIDE ANALOGUES AMERSHAM PHARMACIA BIOTECH UK LIMITED (GB) 1997-08-07 WO disclosed