SCHEMBL13629555

SCHEMBL13629555

CCC(CC)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.60
CTNNB1 P35222 1/20 0.60
GAA P10253 1/20 0.55
MGLL Q99685 2/20 0.54
HTR2A P28223 1/20 0.52
MAPT P10636 4/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 6/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL28120256 0.87 MGLL (0.56) BCL9CTNNB1GAAMGLLHTR2A
SCHEMBL10024490 0.86 BCL9 (0.59) BCL9CTNNB1GAAMGLLHTR2A
SCHEMBL7787944 0.84 BCL9 (0.57) BCL9CTNNB1GAAMGLLHTR2A
SCHEMBL10771707 0.83 BCL9 (0.56) BCL9CTNNB1GAAMGLLHTR2A
SCHEMBL11064813 0.83 MGLL (0.61) BCL9CTNNB1GAAMGLLHTR2A
SCHEMBL11060689 0.83 MGLL (0.61) BCL9CTNNB1GAAMGLLHTR2A
SCHEMBL11063253 0.83 MGLL (0.61) BCL9CTNNB1GAAMGLLHTR2A
SCHEMBL4683792 0.81 GAA (0.60) BCL9CTNNB1GAAMGLLHTR2A
SCHEMBL28497167 0.81 MGLL (0.58) BCL9CTNNB1GAAMGLLHTR2A
SCHEMBL25042615 0.80 BCL9 (0.60) BCL9CTNNB1GAAMGLLHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170044373-A1 CHROMOPHORES FOR PHOTOCHROMIC COMPOSITIONS USEFUL FOR THREE DIMENSIONAL DISPLAY APPLICATIONS NITTO DENKO CORPORATION (JP) 2017-02-16 US disclosed
US-20170044373-A1 CHROMOPHORES FOR PHOTOCHROMIC COMPOSITIONS USEFUL FOR THREE DIMENSIONAL DISPLAY APPLICATIONS NITTO DENKO CORPORATION (JP) 2017-02-16 US disclosed
WO-2015164390-A1 CHROMOPHORES FOR PHOTOCHROMIC COMPOSITIONS USEFUL FOR THREE DIMENSIONAL DISPLAY APPLICATIONS NITTO DENKO CORPORATION (JP) 2015-10-29 WO disclosed