SCHEMBL1445933

SCHEMBL1445933

CCC(C#CC(F)(F)F)OC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
ATM Q13315 1/20 0.43
POLB P06746 3/20 0.42
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
ALOX5 P09917 1/20 0.40
CES1 P23141 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
PKM P14618 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
SCHEMBL764762 0.78 ADRB2 (0.47) ADRB2ADRB1ADRB3L3MBTL1ATM
SCHEMBL4950521 0.73 ALDH1A1 (0.55) ADRB2ADRB1ADRB3L3MBTL1ATM
SCHEMBL14928501 0.72 L3MBTL1 (0.52) ADRB2ADRB1ADRB3L3MBTL1ATM
SCHEMBL14928880 0.72 L3MBTL1 (0.52) ADRB2ADRB1ADRB3L3MBTL1ATM
SCHEMBL14928965 0.72 ADRB2 (0.50) ADRB2ADRB1ADRB3L3MBTL1ATM
SCHEMBL18983684 0.72 ADRB2 (0.47) ADRB2ADRB1ADRB3L3MBTL1ATM
SCHEMBL8446208 0.71 PRKCA (0.52) ADRB2ADRB1ADRB3L3MBTL1ATM
SCHEMBL14929732 0.71 L3MBTL1 (0.51) ADRB2ADRB1ADRB3L3MBTL1ATM
SCHEMBL17702640 0.71 CES2 (0.51) ADRB2ADRB1ADRB3L3MBTL1ATM
SCHEMBL4809726 0.71 ALDH1A1 (0.60) ADRB2ADRB1ADRB3L3MBTL1POLB

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-2480547-A2 INDOLIZINE INHIBITORS OF 5-LIPOXYGENASE Panmira Pharmaceuticals, LLC (US) 2012-08-01 EP disclosed
WO-2011109679-A2 INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2011-09-09 WO disclosed
WO-2011038086-A2 INDOLIZINE INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2011-03-31 WO disclosed