SCHEMBL8782852

SCHEMBL8782852

CCCCOc1cccc(/C=C/C(=O)N(O)CCNC(N)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.47
TLR2 O60603 1/20 0.47
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALOX5 P09917 2/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
CYSLTR2 Q9NS75 1/20 0.42
BCHE P06276 4/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
ACHE P22303 2/20 0.41
CYP2D6 P10635 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
APP P05067 1/20 0.41
EPOR P19235 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
SCHEMBL8942624 1.00 TLR4 (0.47) TLR4TLR2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL8942404 0.88 SAE1 (0.51) BCHEMEN1KMT2AACHECYP2D6
SCHEMBL8783350 0.86 SMN1; SMN2 (0.49) TLR4TLR2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL8782799 0.82 ALOX5 (0.50) ALDH1A1KDM4EALOX5PTGS1PTGS2
SCHEMBL8782877 0.82 ALOX5 (0.50) ALDH1A1KDM4EALOX5PTGS1PTGS2
SCHEMBL8942614 0.80 LMNA (0.40) ALDH1A1SMN1; SMN2KDM4EMEN1NPC1
SCHEMBL17680005 0.79 TLR4 (0.61) TLR4TLR2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL14614293 0.78 TLR4 (0.57) TLR4TLR2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL8782804 0.77 NPC1 (0.48) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL10021695 0.76 TLR4 (0.64) TLR4TLR2ALDH1A1SMN1; SMN2KDM4E

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-0595995-B1 ARYLAMIDOALKYL- AND ARYLAMINOALKYL-N-HYDROXYUREA COMPOUNDS AND -N-HYDROXYFORMAMIDE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LAB (US) 1997-01-15 EP disclosed
US-5514702-A Arylamidoalkyl-N-hydroxyurea compounds having lipoxygenase inhibitory activity ABBOTT LABORATORIES (US) 1996-05-07 US disclosed
EP-0595995-A4 ARYLAMIDOALKYL-N-HYDROXYUREA COMPOUNDS HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LAB (US) 1994-08-24 EP disclosed
EP-0595995-A1 ARYLAMIDOALKYL-N-HYDROXYUREA COMPOUNDS HAVING LIPOXYGENASE INHIBITORY ACTIVITY. ABBOTT LAB (US) 1994-05-11 EP disclosed
WO-1993002037-A1 ARYLAMIDOALKYL-N-HYDROXYUREA COMPOUNDS HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LABORATORIES (US) 1993-02-04 WO disclosed