SCHEMBL1551072

SCHEMBL1551072

C#Cc1ccc(CCC(=O)OCC)cc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.66
CYP4A11 Q02928 2/20 0.66
CYP4Z1 Q86W10 3/20 0.52
TDP1 Q9NUW8 1/20 0.46
EPHX2 P34913 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
FFAR1 O14842 3/20 0.44
CYP4F11 Q9HBI6 1/20 0.44
CYP4F12 Q9HCS2 1/20 0.44
ALOX5 P09917 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
P2RY12 Q9H244 1/20 0.41

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
SCHEMBL68902 0.86 CYP4F2 (0.85) CYP4F2CYP4A11CYP4Z1TDP1EPHX2
SCHEMBL4506493 0.84 CYP4F2 (0.66) CYP4F2CYP4A11CYP4Z1TDP1HRH3
SCHEMBL24095167 0.83 CYP4Z1 (0.50) CYP4F2CYP4A11CYP4Z1LMNAMAPT
SCHEMBL516523 0.83 ADRB2 (0.48) CYP4F2CYP4A11TDP1EPHX2HRH3
SCHEMBL879130 0.81 CYP4F2 (0.77) CYP4F2CYP4A11CYP4Z1TDP1EPHX2
SCHEMBL11437256 0.81 CYP4F2 (0.77) CYP4F2CYP4A11CYP4Z1TDP1EPHX2
SCHEMBL363982 0.81 CYP4F2 (0.77) CYP4F2CYP4A11CYP4Z1TDP1EPHX2
SCHEMBL10206072 0.81 CYP4F2 (0.77) CYP4F2CYP4A11CYP4Z1TDP1EPHX2
SCHEMBL457584 0.80 ACACB (0.60) CYP4F2CYP4A11FFAR1
SCHEMBL1587300 0.80 CYP4F2 (0.74) CYP4F2CYP4A11CYP4Z1TDP1HRH3

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-2313360-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISEASES Syddansk Universitet (DK) 2011-04-27 EP disclosed
WO-2010012650-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISEASES SYDDANSK UNIVERSITET (DK) 2010-02-04 WO disclosed