SCHEMBL6436367

SCHEMBL6436367

COc1ccc(COC=O)c([N+](=O)[O-])c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
POLB P06746 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 4/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38

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
SCHEMBL28527757 0.82 ALDH1A1 (0.42) ALDH1A1LMNAPOLBHTTSMN1; SMN2
SCHEMBL16033385 0.82 ALDH1A1 (0.42) ALDH1A1LMNAPOLBHTTSMN1; SMN2
SCHEMBL215343 0.82 TDP1 (0.46) ALDH1A1LMNAPOLBHTTSMN1; SMN2
SCHEMBL18138425 0.80 TDP1 (0.45) ALDH1A1LMNAPOLBHTTSMN1; SMN2
SCHEMBL25770 0.80 ALDH1A1 (0.41) ALDH1A1LMNAPOLBHTTSMN1; SMN2
SCHEMBL7002838 0.80 AOC3 (0.46) ALDH1A1LMNAPOLBSMN1; SMN2KDM4E
SCHEMBL5964869 0.79 KDM4E (0.44) ALDH1A1LMNAPOLBHTTSMN1; SMN2
SCHEMBL8950197 0.79 KDM4E (0.47) ALDH1A1LMNAPOLBHTTSMN1; SMN2
SCHEMBL11748681 0.79 KDM4E (0.44) ALDH1A1LMNAPOLBHTTSMN1; SMN2
SCHEMBL5964706 0.79 TDP1 (0.44) ALDH1A1LMNAPOLBHTTSMN1; SMN2

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-0882072-B2 ANIONIC PHOTOCATALYST CIBA SC HOLDING AG (CH) 2005-10-26 EP disclosed
EP-0882072-B1 ANIONIC PHOTOCATALYST DSM NV (NL) 2000-11-08 EP disclosed
US-6124371-A STABILITY AND GOOD SOLUBILITY IN POLYMERIZABLE MATERIAL DSM N.V. (NL) 2000-09-26 US disclosed
EP-0882072-A1 ANIONIC PHOTOCATALYST DSM N.V. (NL) 1998-12-09 EP disclosed
WO-1997031033-A1 ANIONIC PHOTOCATALYST DSM N.V. (NL) 1997-08-28 WO disclosed