SCHEMBL5678779

SCHEMBL5678779

O=C(O)CCc1ccc(=O)[nH]n1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
FFAR1 O14842 2/20 0.41
KMT2A Q03164 5/20 0.39
KEAP1 Q14145 1/20 0.39
CYP1A2 P05177 1/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL434429 0.81 LMNA (0.42) ALDH1A1KMT2ACYP1A2MEN1HTT
SCHEMBL8481242 0.75 MAPT (0.46) ALDH1A1KMT2ACYP1A2MEN1SMN1; SMN2
SCHEMBL28809834 0.74 AKR1B1 (0.50) CYP1A2PARP1
SCHEMBL7697974 0.73 KEAP1 (0.42) ALDH1A1FFAR1KEAP1CYP1A2PARP1
SCHEMBL1808284 0.72 KMT2A (0.41) ALDH1A1KMT2ACYP1A2MEN1HTT
Bromide SCHEMBL28900199 0.72 KEAP1 (0.41) ALDH1A1FFAR1KEAP1CYP1A2
SCHEMBL14971487 0.71 ALDH1A1 (0.42) ALDH1A1PARP1PARP2NR1H4
SCHEMBL5798675 0.70 CYP1A2 (0.43) ALDH1A1KMT2ACYP1A2MEN1SMN1; SMN2
SCHEMBL5681397 0.69 LTB4R (0.43) ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL18534204 0.67 CYTH3 (0.53) ALDH1A1FFAR1KEAP1NR1H4

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
EP-0988045-B1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS NIELSEN PETER EIGIL (DK) 2006-02-08 EP disclosed
US-6632919-B1 Bind Watson-Crick base pairs in a double helix; specific for thymidine Nielsen, Peter (DK) 2003-10-14 US disclosed
EP-0988045-A4 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS NIELSEN PETER EIGIL (DK) 2002-07-24 EP disclosed
EP-0988045-A1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS NIELSEN, Peter Eigil (DK) 2000-03-29 EP disclosed
WO-1998052595-A1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS ISIS PHARMACEUTICALS, INC. (US) 1998-11-26 WO disclosed