SCHEMBL9769996

SCHEMBL9769996

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.50
PTGS1 P23219 2/20 0.47
MAOB P27338 2/20 0.45
MAOA P21397 1/20 0.45
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
LMNA P02545 1/20 0.43
SNCA P37840 1/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TLR9 Q9NR96 1/20 0.42
HTT P42858 1/20 0.42
CYP19A1 P11511 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
GCK P35557 1/20 0.40
NFE2L2 Q16236 1/20 0.39

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
SCHEMBL9769995 0.82 PTGS2 (0.46) PTGS2PTGS1MAOBMAOAKMT2A
SCHEMBL9283142 0.82 PTGS2 (0.49) PTGS2PTGS1MAOBMAOAKMT2A
SCHEMBL10079590 0.79 CA12 (0.49) KMT2AMEN1LMNAMAPTHTT
SCHEMBL29047967 0.77 PTGS2 (0.46) PTGS2PTGS1MAOBMAOAKMT2A
SCHEMBL9480422 0.76 PTGS2 (0.57) PTGS2MAOBKMT2AMEN1LMNA
SCHEMBL9480426 0.76 PTGS2 (0.57) PTGS2MAOBKMT2AMEN1LMNA
SCHEMBL7564773 0.76 ELANE (0.41) KMT2AMAPTHTTTDP1
SCHEMBL9147599 0.76 PTGS2 (0.44) PTGS2PTGS1MAOBMAOAKMT2A
SCHEMBL28411012 0.75 ALDH1A3 (0.53) KMT2AMEN1LMNAMAPT
SCHEMBL9773217 0.75 PTGS2 (0.43) PTGS2PTGS1MAOBMAOAKMT2A

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
US-5044725-A Polymeric thin film waveguide media HOECHST CELANESE CORP. (US) 1991-09-03 US disclosed
US-5002361-A Polymeric thin film waveguide media HOECHST CELANESE CORP. (US) 1991-03-26 US disclosed
US-4936644-A Polarization-insensitive interferometric waveguide electrooptic modulator HOECHST CELANESE CORP. (US) 1990-06-26 US disclosed
US-4932738-A Polarization-insensitive interferometric waveguide electrooptic modulator HOECHST CELANESE CORP. (US) 1990-06-12 US disclosed