SCHEMBL8093263

SCHEMBL8093263

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.50
CA2 P00918 2/20 0.50
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
AKR1C3 P42330 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 5/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
KDM4E B2RXH2 4/20 0.44
LMNA P02545 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 3/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL735221 0.82 CA1 (0.53) CA1CA2ACHEAKR1C3L3MBTL1
SCHEMBL27811655 0.80 LMNA (0.44) CA1CA2BCHEACHEAKR1C3
SCHEMBL27831964 0.80 LMNA (0.44) CA1CA2BCHEACHEAKR1C3
SCHEMBL735218 0.79 MAPT (0.45) CA1CA2BCHEACHEAKR1C3
P-Nitrophenol SCHEMBL7526432 0.78 AKR1C3 (0.64) CA1CA2BCHEACHEAKR1C3
SCHEMBL2545948 0.77 CES2 (0.73) CA1CA2BCHEACHEAKR1C3
SCHEMBL1759898 0.77 L3MBTL1 (0.57) CA1CA2BCHEACHEAKR1C3
SCHEMBL2127918 0.77 L3MBTL1 (0.57) CA1CA2BCHEACHEAKR1C3
SCHEMBL13318603 0.76 MAPT (0.43) CA1CA2BCHEACHEL3MBTL1
SCHEMBL9240301 0.76 LMNA (0.44) CA1CA2BCHEACHEL3MBTL1

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
EP-1060748-A1 REMEDIES FOR CORNEAL EPITHELIUM DISTURBANCE Wakamoto Pharmaceutical Co., Ltd. (JP) 2000-12-20 EP disclosed