SCHEMBL7716236

SCHEMBL7716236

CCOC(=O)COc1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.57
KMT2A Q03164 6/20 0.56
GAA P10253 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MAPT P10636 6/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
HTT P42858 2/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
PPARD Q03181 2/20 0.50
MEN1 O00255 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
PKM P14618 1/20 0.48

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
SCHEMBL7716238 1.00 PTGS2 (0.57) PTGS2KMT2AGAANPSR1MAPT
SCHEMBL8725883 1.00 PTGS2 (0.57) PTGS2KMT2AGAANPSR1MAPT
SCHEMBL656776 0.92 PTGS2 (0.66) PTGS2KMT2AGAANPSR1MAPT
SCHEMBL9188865 0.88 PTGS2 (0.61) PTGS2KMT2AGAANPSR1MAPT
SCHEMBL14506304 0.85 PTGS2 (0.78) PTGS2KMT2AGAANPSR1MAPT
SCHEMBL11264549 0.85 PTGS2 (0.59) PTGS2KMT2AGAANPSR1MAPT
SCHEMBL9192509 0.85 PTGS2 (0.78) PTGS2KMT2AGAANPSR1MAPT
SCHEMBL9192511 0.85 PTGS2 (0.78) PTGS2KMT2AGAANPSR1MAPT
SCHEMBL15008305 0.83 PTGS2 (0.67) PTGS2KMT2AGAANPSR1MAPT
SCHEMBL7712792 0.82 PPARD (0.55) PTGS2KMT2AMAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828709-B1 NOVEL PHYSICALLY FUNCTIONAL MATERIALS OPTILINK AB (SE) 2002-09-18 EP disclosed
US-6376655-B1 APPLYING EXTERNAL STIMULATION; OPTICAL ANISOTROPY RISO NATIONAL LABORATORY (DK) 2002-04-23 US disclosed
EP-0828709-A1 NOVEL PHYSICALLY FUNCTIONAL MATERIALS FORSKNINGSCENTER RISO (DK) 1998-03-18 EP disclosed
WO-1996038410-A1 NOVEL PHYSICALLY FUNCTIONAL MATERIALS Forskningscenter Risø (DK) 1996-12-05 WO disclosed