SCHEMBL11076206

SCHEMBL11076206

CC(=O)OCC(=Cc1cccc(F)c1)[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.53
MAPT P10636 2/20 0.48
GLO1 Q04760 2/20 0.41
PTGS1 P23219 2/20 0.41
AKR1C3 P42330 1/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
AKR1C2 P52895 1/20 0.39
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL11074185 0.85 FBP1 (0.55) FBP1GLO1AKR1C3KMT2AALDH1A1
SCHEMBL11071114 0.84 FBP1 (0.54) FBP1GLO1AKR1C3KMT2AALDH1A1
SCHEMBL9997526 0.81 MAPT (0.51) FBP1MAPTGLO1PTGS1AKR1C3
SCHEMBL9997519 0.81 MAPT (0.51) FBP1MAPTGLO1PTGS1AKR1C3
SCHEMBL9998284 0.80 MAPT (0.48) FBP1MAPTGLO1PTGS1AKR1C3
SCHEMBL9998367 0.77 MAPT (0.51) FBP1MAPTGLO1PTGS1AKR1C3
SCHEMBL9998364 0.77 MAPT (0.51) FBP1MAPTGLO1PTGS1AKR1C3
SCHEMBL11072474 0.77 GAA (0.52) MAPTPTGS1ALDH1A1LMNAEGFR
SCHEMBL18420237 0.76 FBP1 (0.47) FBP1MAPTGLO1PTGS1AKR1C3
SCHEMBL11080235 0.76 FBP1 (0.50) FBP1MAPTKMT2AALDH1A1LMNA

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