SCHEMBL7895205

SCHEMBL7895205

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
CYP1A2 P05177 2/20 0.47
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.42
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
PLAU P00749 1/20 0.40
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CTSD P07339 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 1/20 0.38
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL2634390 0.83 ALDH1A1 (0.74) ALDH1A1CYP1A2TSHRHSD17B10GAA
SCHEMBL38657948 0.83 ALDH1A1 (0.74) ALDH1A1CYP1A2TSHRHSD17B10GAA
SCHEMBL29688451 0.83 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHRHSD17B10POLB
SCHEMBL1305446 0.83 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHRHSD17B10POLB
SCHEMBL5787232 0.80 ALDH1A1 (0.50) ALDH1A1CYP1A2TSHRHSD17B10GAA
SCHEMBL16811748 0.79 ALDH1A1 (0.56) ALDH1A1CYP1A2TSHRHSD17B10GAA
SCHEMBL27474823 0.79 ALDH1A1 (0.58) ALDH1A1CYP1A2TSHRHSD17B10POLB
SCHEMBL4361293 0.79 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHRHSD17B10GAA
SCHEMBL16310441 0.78 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHRGAASMN1; SMN2
SCHEMBL2431836 0.78 CYP1A2 (0.63) ALDH1A1CYP1A2TSHRHSD17B10TDP1

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 1 patent. 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