SCHEMBL8935134

SCHEMBL8935134

O=C(O)CC(C(=O)O)(c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.49
PTPRC P08575 1/20 0.48
TSHR P16473 5/20 0.47
LMNA P02545 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
ALDH1A1 P00352 4/20 0.45
ALOX15 P16050 1/20 0.45
KMO O15229 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.43
DDX3X O00571 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FFAR1 O14842 1/20 0.42

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
SCHEMBL8935138 1.00 TP53 (0.49) TP53PTPRCTSHRLMNACES2
SCHEMBL27898127 0.83 TP53 (0.50) TP53PTPRCTSHRLMNACES2
SCHEMBL9010701 0.81 TDP1 (0.47) TSHRLMNACES2CES1ALDH1A1
SCHEMBL6622555 0.76 PTPRC (0.59) TP53PTPRCTSHRLMNACES2
SCHEMBL27963785 0.76 PTPRC (0.59) TP53PTPRCTSHRLMNACES2
SCHEMBL1645746 0.76 PTPRC (0.59) TP53PTPRCTSHRLMNACES2
SCHEMBL4208895 0.76 CYP2C19 (0.43) LMNAALDH1A1FFAR1
SCHEMBL1522095 0.75 PTPRC (0.50) TP53PTPRCTSHRLMNACES2
SCHEMBL4369637 0.75 PTPRC (0.54) TP53PTPRCTSHRLMNACES2
SCHEMBL6655196 0.74 PTPRC (0.44) TP53PTPRCTSHRLMNACES2

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
EP-0630261-A4 NEW CYCLODEXTRINS AND NEW FORMULATED DRUGS. AUSTRALIAN COMMERCIAL RESEARCH (AU) 1996-11-06 EP disclosed
EP-0630261-A1 NEW CYCLODEXTRINS AND NEW FORMULATED DRUGS AUSTRALIAN COMMERCIAL RESEARCH & DEVELOPMENT LIMITED (AU) 1994-12-28 EP disclosed
WO-1993017711-A1 NEW CYCLODEXTRINS AND NEW FORMULATED DRUGS AUSTRALIAN COMMERCIAL RESEARCH & DEVELOPMENT LIMITED (AU) 1993-09-16 WO disclosed