SCHEMBL3846090

SCHEMBL3846090

O=[N+]([O-])c1ccc(C=CCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
APP P05067 3/20 0.53
BCHE P06276 1/20 0.53
MAOB P27338 1/20 0.53
FBP1 P09467 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
CYP19A1 P11511 1/20 0.50
CYP1B1 Q16678 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
NFE2L2 Q16236 1/20 0.47
GRIK1 P39086 1/20 0.47
GRIK2 Q13002 1/20 0.47
PTGS2 P35354 2/20 0.46
SNCA P37840 2/20 0.46
PTGS1 P23219 1/20 0.46

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
SCHEMBL27793265 1.00 MAPT (0.53) MAPTAPPBCHEMAOBFBP1
SCHEMBL11115079 0.84 ACHE (0.56) MAPTAPPBCHEMAOBFBP1
SCHEMBL11115082 0.84 ACHE (0.56) MAPTAPPBCHEMAOBFBP1
SCHEMBL6916970 0.83 TDP1 (0.60) APPBCHEMAOBFBP1CYP1B1
SCHEMBL8425628 0.83 CYP1A2 (0.53) MAPTAPPBCHEMAOBFBP1
SCHEMBL11114201 0.83 NFE2L2 (0.69) MAPTMAOBFBP1CYP1A2CYP2C19
SCHEMBL11114204 0.83 NFE2L2 (0.69) MAPTMAOBFBP1CYP1A2CYP2C19
SCHEMBL1405432 0.80 CYP19A1 (0.72) MAPTAPPBCHEMAOBFBP1
SCHEMBL1405433 0.80 CYP19A1 (0.72) MAPTAPPBCHEMAOBFBP1
SCHEMBL29136503 0.80 CYP19A1 (0.72) MAPTAPPBCHEMAOBFBP1

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
CN-101844957-B Method for reducing alpha, beta-unsaturated keto carbonyl into methylene UNIV HANGZHOU NORMAL 2012-10-24 CN disclosed
CN-101844957-A Method for reducing alpha, beta-unsaturated keto carbonyl into methylene UNIV HANGZHOU NORMAL 2010-09-29 CN disclosed
CN-101657414-A Oxime compound, photosensitive composition, color filter, method for production of the color filter, and liquid crystal display element FUJIFILM CORP JP 2010-02-24 CN disclosed
EP-2116527-A1 OXIME COMPOUND, PHOTOSENSITIVE COMPOSITION, COLOR FILTER, METHOD FOR PRODUCTION OF THE COLOR FILTER, AND LIQUID CRYSTAL DISPLAY ELEMENT FUJIFILM Corporation (JP) 2009-11-11 EP disclosed
US-20030129504-A1 Photosensitive resin compositon, transfer material, image forming method, color filter and producing method thereof and photomask and producing method thereof FUJI PHOTO FILM CO., LTD. 2003-07-10 US disclosed