SCHEMBL3818688

SCHEMBL3818688

COc1cc(C=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)c(OC)cc1C=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 7/20 0.54
CYP1B1 Q16678 7/20 0.54
CYP1A2 P05177 6/20 0.54
NFE2L2 Q16236 3/20 0.53
TRPA1 O75762 2/20 0.53
APP P05067 2/20 0.48
TUBB1 Q9H4B7 3/20 0.47
MAPT P10636 2/20 0.47
NQO2 P16083 1/20 0.47
CYP19A1 P11511 1/20 0.47
TUBB4A P04350 2/20 0.47
TUBB P07437 2/20 0.47
TUBA3C P0DPH7 2/20 0.47
TUBA1B P68363 2/20 0.47
TUBA4A P68366 2/20 0.47
TUBB4B P68371 2/20 0.47
TUBB3 Q13509 2/20 0.47
TUBB2A Q13885 2/20 0.47
TUBB8 Q3ZCM7 2/20 0.47
TUBA3E Q6PEY2 2/20 0.47

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
SCHEMBL12382120 1.00 CYP1A1 (0.54) CYP1A1CYP1B1CYP1A2NFE2L2TRPA1
SCHEMBL13479742 0.94 NFE2L2 (0.51) CYP1A1CYP1B1CYP1A2NFE2L2TRPA1
SCHEMBL12533834 0.94 NFE2L2 (0.51) CYP1A1CYP1B1CYP1A2NFE2L2TRPA1
SCHEMBL14769035 0.93 CYP1A1 (0.48) CYP1A1CYP1B1CYP1A2NFE2L2TRPA1
SCHEMBL13890837 0.92 TUBB1 (0.51) CYP1A1CYP1B1CYP1A2NFE2L2TRPA1
SCHEMBL19836410 0.92 MAPT (0.49) CYP1A1CYP1B1CYP1A2NFE2L2TRPA1
SCHEMBL13485313 0.91 CYP1A1 (0.63) CYP1A1CYP1B1CYP1A2NFE2L2TRPA1
SCHEMBL4415826 0.90 CYP1A1 (0.46) CYP1A1CYP1B1CYP1A2NFE2L2TRPA1
SCHEMBL14407863 0.90 CYP1A1 (0.46) CYP1A1CYP1B1CYP1A2NFE2L2TRPA1
SCHEMBL9915628 0.90 CYP1A1 (0.46) CYP1A1CYP1B1CYP1A2NFE2L2TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303791-B1 MULTICOLOR IMAGING USING MULTIPHOTON PHOTOCHEMICAL PROCESSES 3M INNOVATIVE PROPERTIES CO (US) 2009-08-19 EP disclosed
EP-1297021-B1 MULTIPHOTON PHOTOSENSITIZATION SYSTEM 3M INNOVATIVE PROPERTIES CO (US) 2009-03-18 EP disclosed
US-7091255-B2 Multiphoton photosensitization system 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-08-15 US disclosed
US-7026103-B2 Multicolor imaging using multiphoton photochemical processes 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-04-11 US disclosed
EP-1292852-B1 MICROFABRICATION OF ORGANIC OPTICAL ELEMENTS 3M INNOVATIVE PROPERTIES CO (US) 2005-11-09 EP disclosed
US-20050054744-A1 Multiphoton photosensitization system 3M INNOVATIVE PROPERTIES COMPANY 2005-03-10 US disclosed
US-6852766-B1 Multiphoton photosensitization system 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-02-08 US disclosed
US-20030194651-A1 Multicolor imaging using multiphoton photochemical processes 3M INNOVATIVE PROPERTIES COMPANY 2003-10-16 US disclosed
US-20030155667-A1 Method for making or adding structures to an article 3M INNOVATIVE PROPERTIES COMPANY 2003-08-21 US disclosed
EP-1297021-A2 MULTIPHOTON PHOTOSENSITIZATION SYSTEM 3M Innovative Properties Company (US) 2003-04-02 EP disclosed
WO-2001096409-A2 MULTIPHOTON PHOTOSENSITIZATION SYSTEM 3M INNOVATIVE PROPERTIES COMPANY (US) 2001-12-20 WO disclosed