SCHEMBL10439554

SCHEMBL10439554

CC(C)COC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.68
ADRB1 P08588 3/20 0.68
ADRB3 P13945 3/20 0.68
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
ATM Q13315 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MAPT P10636 2/20 0.54
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 1/20 0.54
ALOX5 P09917 1/20 0.52
MAPK1 P28482 1/20 0.51
POLB P06746 1/20 0.51
ALOX12 P18054 1/20 0.51
RAB9A P51151 1/20 0.51
KCNJ1 P48048 1/20 0.50
KCNH2 Q12809 1/20 0.50
CES1 P23141 1/20 0.50
PLA2G1B P04054 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49

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
SCHEMBL7023482 0.90 ADRB2 (0.68) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL11615833 0.89 ADRB2 (0.64) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL2336328 0.89 ADRB2 (0.71) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL8405253 0.86 ADRB2 (0.64) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL9589434 0.86 MAPT (0.66) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL9420493 0.84 ADRB2 (0.58) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL9420451 0.84 ADRB2 (0.58) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL8446052 0.84 ADRB2 (0.61) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL7092732 0.84 ADRB2 (0.61) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL28279716 0.84 ATM (0.60) ADRB2ADRB1ADRB3MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0396356-A1 Thermo sensitive record medium NCR CORPORATION (US) 1990-11-07 EP claimed
EP-0396356-A1 Thermo sensitive record medium NCR CORPORATION (US) 1990-11-07 EP disclosed