SCHEMBL5787232

SCHEMBL5787232

CC(OC(=O)OC(N)=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
CYP1A2 P05177 2/20 0.44
TSHR P16473 1/20 0.43
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
PLAU P00749 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CTSD P07339 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
F2 P00734 1/20 0.36

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
SCHEMBL4361293 0.88 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHRGAASMN1; SMN2
Propane SCHEMBL542088 0.84 ALDH1A1 (0.51) ALDH1A1CYP1A2TSHRGAASMN1; SMN2
SCHEMBL5583400 0.81 ALDH1A1 (0.56) ALDH1A1CYP1A2TSHRGAASMN1; SMN2
SCHEMBL27889264 0.81 ALDH1A1 (0.56) ALDH1A1CYP1A2TSHRGAASMN1; SMN2
SCHEMBL14503207 0.80 ALDH1A1 (0.52) ALDH1A1CYP1A2TSHRGAASMN1; SMN2
SCHEMBL7895205 0.80 ALDH1A1 (0.56) ALDH1A1CYP1A2TSHRGAASMN1; SMN2
SCHEMBL29573208 0.80 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHRGAASMN1; SMN2
SCHEMBL5052181 0.80 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHRGAASMN1; SMN2
SCHEMBL13347474 0.80 ALDH1A1 (0.59) ALDH1A1CYP1A2TSHRGAASMN1; SMN2
SCHEMBL28879715 0.77 HTR2A (0.47) ALDH1A1CYP1A2TSHRGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6177360-B1 Process for manufacture of integrated circuit device INTERNATIONAL BUSINESS MACHINES CORPORATION 2001-01-23 US claimed
EP-1312649-B1 Stable composition SHIPLEY CO LLC (US) 2006-10-25 EP disclosed
US-6852367-B2 A curable B-staged organo polysilsesquioxanes free of the alcohol of reaction and stabilized by an organic acid for longer shelf life; forming a dielectric film by curing and removing an included pore-forming material SHIPLEY COMPANY, L.L.C. (US) 2005-02-08 US disclosed
US-20030100644-A1 Stable composition SHIPLEY COMPANY, L.L.C. (US) 2003-05-29 US disclosed
EP-1312649-A2 Stable composition Shipley Co. L.L.C. (US) 2003-05-21 EP disclosed
US-6177360-B1 Process for manufacture of integrated circuit device INTERNATIONAL BUSINESS MACHINES CORPORATION 2001-01-23 US disclosed