SCHEMBL8405253

SCHEMBL8405253

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.64
ADRB1 P08588 4/20 0.64
ADRB3 P13945 4/20 0.64
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 4/20 0.50
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 1/20 0.50
ALOX5 P09917 1/20 0.49
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.47
KCNJ1 P48048 1/20 0.47
KCNH2 Q12809 1/20 0.47
CES1 P23141 1/20 0.46
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45

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 0.92 ADRB2 (0.68) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL9589434 0.88 MAPT (0.66) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL10439554 0.86 ADRB2 (0.68) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL7771559 0.86 MAPT (0.64) ADRB2ADRB1ADRB3MAPTALDH1A1
SCHEMBL2336328 0.85 ADRB2 (0.71) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL1246020 0.84 ADRB2 (0.69) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL1246010 0.84 ADRB2 (0.69) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL1246019 0.84 ADRB2 (0.69) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL11615833 0.82 ADRB2 (0.64) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL11774862 0.81 ADRB2 (0.55) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0677542-B1 Diamine chain extenders in polyurethane-ureas and process of manufacture AIR PROD & CHEM (US) 1999-06-23 EP disclosed
US-5719307-A INCLUDING 2-METHYL-1,3-PROPANEDIOL-BIS-PARA-AMINOBENZOATE AIR PRODUCTS AND CHEMICALS, INC. (US) 1998-02-17 US disclosed
EP-0677542-A2 Diamine chain extenders in polyurethane-ureas and process of manufacture AIR PRODUCTS AND CHEMICALS, INC. (US) 1995-10-18 EP disclosed