SCHEMBL3552172

SCHEMBL3552172

CCOC(=O)CCc1ccc(SCC=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.59
CYP4A11 Q02928 2/20 0.59
CYP4Z1 Q86W10 3/20 0.51
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CYP4F11 Q9HBI6 1/20 0.43
CYP4F12 Q9HCS2 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
EPHX2 P34913 1/20 0.40
SYK P43405 1/20 0.39
MITF O75030 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
P2RY12 Q9H244 1/20 0.39
ALOX5 P09917 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ABCB1 P08183 1/20 0.38

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
SCHEMBL4863739 0.85 CYP4F2 (0.66) CYP4F2CYP4A11CYP4Z1NPC1RAB9A
SCHEMBL11358559 0.82 CYP4F2 (0.70) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL68902 0.81 CYP4F2 (0.85) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL24931511 0.80 CYP4F2 (0.68) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL349384 0.79 CYP4F2 (0.70) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL2774321 0.77 CYP4F2 (0.62) CYP4F2CYP4A11CYP4Z1TDP1EPHX2
SCHEMBL11437256 0.76 CYP4F2 (0.77) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL10206072 0.76 CYP4F2 (0.77) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL363982 0.76 CYP4F2 (0.77) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL879130 0.76 CYP4F2 (0.77) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101628888-B Inhibitors of cytosolic phospholipase a2 WYETH CORP 2012-05-23 CN disclosed
US-7713964-B2 Methods for treating asthmatic conditions WYETH LLC (US) 2010-05-11 US disclosed
US-7605156-B2 Methods for the use of inhibitors of cytosolic phospholipase A2 WYETH (US) 2009-10-20 US disclosed
CN-100503566-C Cytosolic phospholipase A2 inhibitors WYETH CORP (US) 2009-06-24 CN disclosed