SCHEMBL9283142

SCHEMBL9283142

C=CC(OC(=O)C(=C)C)Oc1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.49
MAOB P27338 3/20 0.44
MAOA P21397 2/20 0.44
PTGS1 P23219 2/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TLR9 Q9NR96 1/20 0.41
CYP19A1 P11511 1/20 0.40
SNCA P37840 1/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
HTT P42858 1/20 0.39
APP P05067 1/20 0.38
NFE2L2 Q16236 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
SCHEMBL9769996 0.82 PTGS2 (0.50) PTGS2MAOBMAOAPTGS1MEN1
SCHEMBL299826 0.76 ELANE (0.42) MEN1KMT2A
SCHEMBL9769995 0.75 PTGS2 (0.46) PTGS2MAOBMAOAPTGS1MEN1
SCHEMBL9147599 0.75 PTGS2 (0.44) PTGS2MAOBMAOAPTGS1MEN1
SCHEMBL8627211 0.75 KMT2A (0.49) KMT2AMAPTHTT
SCHEMBL9773217 0.74 PTGS2 (0.43) PTGS2MAOBMAOAPTGS1MEN1
SCHEMBL7339889 0.74 HSPB1 (0.43) PTGS2MEN1KMT2ANPC1MAPT
SCHEMBL9655691 0.74 PTGS2 (0.46) PTGS2MAOBPTGS1MEN1KMT2A
SCHEMBL9133114 0.73 PTGS2 (0.56) PTGS2MAOBMEN1KMT2ANPC1
SCHEMBL10333121 0.72 HTT (0.57) PTGS2MAOBMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5400172-A Multi-layer optical elements formed from free standing films and method of making same HOECHST CELANESE CORP. (US) 1995-03-21 US disclosed