SCHEMBL9850705

SCHEMBL9850705

C/C(O)=C\c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.59
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
APP P05067 1/20 0.52
MAPK1 P28482 1/20 0.52
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PTGS2 P35354 2/20 0.49
PTGS1 P23219 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
ACHE P22303 1/20 0.48
HSD17B10 Q99714 1/20 0.48
BCHE P06276 1/20 0.47
MAOB P27338 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
NOS1 P29475 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL6954094 0.86 FBP1 (0.61) FBP1MEN1KMT2AAPPMAPK1
SCHEMBL481147 0.83 AKR1C3 (0.58) FBP1MEN1KMT2AAPPMAPK1
SCHEMBL52681 0.83 AKR1C3 (0.58) FBP1MEN1KMT2AAPPMAPK1
SCHEMBL17009045 0.83 AKR1C3 (0.58) FBP1MEN1KMT2AAPPMAPK1
SCHEMBL6469695 0.82 FBP1 (0.67) FBP1MEN1KMT2AAPPMAPK1
SCHEMBL7636924 0.82 FBP1 (0.58) FBP1MEN1KMT2AAPPMAPK1
SCHEMBL3855268 0.82 FBP1 (0.58) FBP1MEN1KMT2AAPPMAPK1
SCHEMBL3855269 0.82 FBP1 (0.58) FBP1MEN1KMT2AAPPMAPK1
SCHEMBL6469686 0.82 FBP1 (0.67) FBP1MEN1KMT2AAPPMAPK1
SCHEMBL7636929 0.82 FBP1 (0.58) FBP1MEN1KMT2AAPPMAPK1

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-0422897-A2 Recovery of water-insoluble epoxy alcohols ARCO Chemical Technology, L.P. (US) 1991-04-17 EP disclosed