SCHEMBL1032987

SCHEMBL1032987

COc1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1C

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.78
CYP19A1 P11511 3/20 0.78
TLR9 Q9NR96 2/20 0.64
PTGS1 P23219 2/20 0.61
NFE2L2 Q16236 2/20 0.54
KRAS P01116 1/20 0.53
TUBB4A P04350 1/20 0.52
TUBB P07437 1/20 0.52
TUBA3C P0DPH7 1/20 0.52
TUBA1B P68363 1/20 0.52
TUBA4A P68366 1/20 0.52
TUBB4B P68371 1/20 0.52
TUBB3 Q13509 1/20 0.52
TUBB2A Q13885 1/20 0.52
TUBB8 Q3ZCM7 1/20 0.52
TUBA3E Q6PEY2 1/20 0.52
TUBA1A Q71U36 1/20 0.52
TUBA1C Q9BQE3 1/20 0.52
TUBB6 Q9BUF5 1/20 0.52
TUBB2B Q9BVA1 1/20 0.52

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
SCHEMBL1032986 1.00 PTGS2 (0.78) PTGS2CYP19A1TLR9PTGS1NFE2L2
SCHEMBL6474599 0.88 PTGS2 (1.00) PTGS2CYP19A1TLR9PTGS1NFE2L2
SCHEMBL4785927 0.88 PTGS2 (1.00) PTGS2CYP19A1TLR9PTGS1NFE2L2
SCHEMBL9828022 0.82 ALDH1A1 (0.63) PTGS2CYP19A1TLR9PTGS1NFE2L2
SCHEMBL9828020 0.82 ALDH1A1 (0.63) PTGS2CYP19A1TLR9PTGS1NFE2L2
SCHEMBL187136 0.82 TDP1 (0.66) PTGS2CYP19A1TDP1MAPTRAB9A
SCHEMBL13018896 0.82 PTGS2 (0.78) PTGS2CYP19A1TLR9PTGS1NFE2L2
SCHEMBL3054757 0.81 TLR9 (0.76) PTGS2CYP19A1TLR9PTGS1NFE2L2
SCHEMBL3100101 0.81 VCP (0.77) PTGS2CYP19A1TUBB4ATUBBTUBA3C
SCHEMBL3100099 0.81 VCP (0.77) PTGS2CYP19A1TUBB4ATUBBTUBA3C

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 176 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018172491-A1 A METHOD FOR CHARACTERIZING OPTICAL PROPERTIES OF A NON-LINEAR IMAGING DEVICE USING HARMONIC GENERATION NANOPROBES ECOLE POLYTECHNIQUE (FR) 2018-09-27 WO claimed
EP-3379318-A1 A METHOD FOR CHARACTERIZING OPTICAL PROPERTIES OF A NON LINEAR IMAGING DEVICE USING HARMONIC GENERATION NANOPROBES Ecole Polytechnique (FR) 2018-09-26 EP claimed
US-9897587-B2 Second harmonic imaging nanoprobes and techniques for use thereof CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-02-20 US claimed
US-20170082596-A1 Second Harmonic Imaging Nanoprobes and Techniques for Use Thereof CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-03-23 US claimed
US-9476830-B2 Second harmonic imaging nanoprobes and techniques for use thereof CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-10-25 US claimed
US-9352055-B2 Functionalization of and use of functionalized second harmonic generating nanoprobes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-05-31 US claimed
US-20160051705-A1 FUNCTIONALIZATION OF AND USE OF FUNCTIONALIZED SECOND HARMONIC GENERATING NANOPROBES CALIFORNIA INSTITUTE OF TECHNOLOGY 2016-02-25 US claimed
US-9221919-B2 Functionalization of and use of functionalized second harmonic generating nanoprobes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-12-29 US claimed
US-8945471-B2 Multipurpose analysis using second harmonic generating nanoprobes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-02-03 US claimed
WO-2013078410-A1 FUNCTIONALIZATION OF AND USE OF FUNCTIONALIZED SECOND HARMONIC GENERATING NANOPROBES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2013-05-30 WO claimed
WO-2008127432-A2 METHOD OF NONLINEAR HARMONIC HOLOGRAPHY CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-10-23 WO claimed
US-6941051-B2 Method for producing non-linear optical organic crystal film REVEO, INC. (US) 2005-09-06 US claimed
US-20040033038-A1 Method for producing non-linear optical organic crystal film XU JIANJUN (US) 2004-02-19 US claimed
US-6577798-B2 Method for producing non-linear optical organic crystal film REVEO, INC. 2003-06-10 US claimed
US-20020041427-A1 Method for producing non-linear optical organic crystal film REVEO, INC. 2002-04-11 US claimed
WO-2002008828-A2 COMPOSITE NONLINEAR OPTICAL FILM, METHOD OF PRODUCING THE SAME AND APPLICATIONS OF THE SAME REVEO, INC. (US) 2002-01-31 WO claimed
WO-2002006890-A2 METHOD FOR PRODUCING NON-LINEAR OPTICAL ORGANIC CRYSTAL FILM REVEO, INC. (US) 2002-01-24 WO claimed
US-6303056-B1 Composite nonlinear optical film, method of producing the same and applications of the same REVEO, INC. 2001-10-16 US claimed
WO-1991003458-A1 NONLINEAR OPTICAL DEVICE FROM 3-METHYL-4-METHOXY-4'-NITROSTILBENE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-03-21 WO claimed
US-4985178-A Nonlinear optical device from 3-methyl-4-methoxy-4'-nitrostilbene E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-01-15 US claimed