SCHEMBL11076864

SCHEMBL11076864

CC(=O)OCC(=Cc1ccc([N+](=O)[O-])cc1)[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.49
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 2/20 0.46
PTGS2 P35354 3/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.42
PTGS1 P23219 1/20 0.41
MAOB P27338 2/20 0.40
PKM P14618 1/20 0.40
POLB P06746 1/20 0.40
MAOA P21397 1/20 0.39
APP P05067 1/20 0.39

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
SCHEMBL11080235 0.86 FBP1 (0.50) FBP1ALDH1A1MAPTSMN1; SMN2PTGS2
SCHEMBL11071114 0.85 FBP1 (0.54) FBP1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL6466356 0.80 FBP1 (0.59) FBP1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL6466353 0.80 FBP1 (0.59) FBP1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL6466349 0.80 FBP1 (0.59) FBP1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL11072474 0.79 GAA (0.52) ALDH1A1MAPTSMN1; SMN2PTGS2MAPK1
SCHEMBL1252605 0.79 FBP1 (0.57) FBP1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL11078650 0.77 CRHBP (0.52) ALDH1A1MAPTKDM4EKMT2AMAOB
SCHEMBL11074185 0.76 FBP1 (0.55) FBP1ALDH1A1KDM4EPTGS2KMT2A
SCHEMBL11076206 0.76 FBP1 (0.53) FBP1ALDH1A1MAPTSMN1; SMN2KDM4E

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-4469703-A FUNGICIDES EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1984-09-04 US disclosed