SCHEMBL18138449

SCHEMBL18138449

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
HSD17B10 Q99714 2/20 0.52
ACHE P22303 1/20 0.52
MAPT P10636 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
PHLPP2 Q6ZVD8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 1/20 0.50
APP P05067 1/20 0.50
LMNA P02545 1/20 0.50
CES1 P23141 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HSPB1 P04792 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 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
SCHEMBL5827237 0.91 ALDH1A1 (0.60) ALDH1A1HSD17B10ACHEMAPTTDP1
SCHEMBL5842043 0.83 ALDH1A1 (0.52) ALDH1A1HSD17B10ACHEMAPTTDP1
SCHEMBL9068786 0.83 ALDH1A1 (0.52) ALDH1A1HSD17B10ACHEMAPTTDP1
SCHEMBL1047553 0.82 MAPT (0.70) ALDH1A1HSD17B10ACHEMAPTTDP1
SCHEMBL7195325 0.81 HSD17B10 (0.54) ALDH1A1HSD17B10ACHEMAPTTDP1
SCHEMBL27909482 0.81 ALDH1A1 (0.72) ALDH1A1HSD17B10ACHETDP1TSHR
SCHEMBL22567 0.81 ALDH1A1 (0.72) ALDH1A1HSD17B10ACHETDP1TSHR
SCHEMBL678502 0.79 HSD17B10 (0.52) ALDH1A1HSD17B10ACHEMAPTTDP1
SCHEMBL11034574 0.79 ALDH1A1 (0.48) ALDH1A1HSD17B10ACHEMAPTTDP1
SCHEMBL29013795 0.79 ALDH1A1 (0.50) ALDH1A1HSD17B10ACHEMAPTTDP1

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
EP-3081612-B1 PHOTOCURABLE COMPOSITION HAVING ADHESIVE PROPERTIES CEMEDINE CO LTD (JP) 2018-11-14 EP disclosed
US-9718999-B2 Photocurable composition having adhesive properties CEMEDINE CO., LTD (JP) 2017-08-01 US disclosed
US-20160312089-A1 PHOTOCURABLE COMPOSITION HAVING ADHESIVE PROPERTIES CEMEDINE CO., LTD. (JP) 2016-10-27 US disclosed
EP-3081612-A1 PHOTOCURABLE COMPOSITION HAVING ADHESIVE PROPERTIES Cemedine Co., Ltd. (JP) 2016-10-19 EP disclosed