SCHEMBL7604379

SCHEMBL7604379

CCOC(=O)CCCc1ccc(O)c(C#N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4Z1 Q86W10 2/20 0.46
CYP4F11 Q9HBI6 1/20 0.46
CYP4F12 Q9HCS2 1/20 0.46
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
ALOX5 P09917 1/20 0.44
APP P05067 1/20 0.43
TNF P01375 1/20 0.42
MAPK1 P28482 2/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2D6 P10635 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADRB2 P07550 2/20 0.40
SLC6A2 P23975 2/20 0.40

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
SCHEMBL6376291 0.92 CYP4F2 (0.54) CYP4Z1CYP4F2CYP4A11APPCYP2D6
SCHEMBL7608755 0.90 CYP4Z1 (0.46) CYP4Z1CYP4F11CYP4F12CYP4F2CYP4A11
SCHEMBL3348357 0.81 CYP4F2 (0.54) CYP4Z1CYP4F2CYP4A11APPCYP2D6
SCHEMBL7606028 0.80 ALOX5 (0.50) CYP4Z1CYP4F11CYP4F12CYP4F2CYP4A11
SCHEMBL7602907 0.79 CASR (0.46) CYP4Z1CYP4F11CYP4F12CYP4F2CYP4A11
SCHEMBL8466268 0.79 CYP4Z1 (0.54) CYP4Z1CYP4F11CYP4F12CYP4F2CYP4A11
SCHEMBL11127882 0.78 NPC1 (0.50) MAPK1NPSR1CYP2D6CYP3A4SMN1; SMN2
SCHEMBL7604752 0.77 MGLL (0.48) CYP4Z1CYP4F11CYP4F12TNFCYP2D6
SCHEMBL7604748 0.77 MGLL (0.48) CYP4Z1CYP4F11CYP4F12TNFCYP2D6
SCHEMBL2769855 0.77 KAT8 (0.53) MAPK1NPSR1CYP3A4SLC6A2SLC6A4

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
US-6395919-B1 Calcilytic compounds SMITHKLINE BEECHAM CORPORATION 2002-05-28 US disclosed
EP-1070048-A4 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2001-11-07 EP disclosed
EP-1070048-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2001-01-24 EP disclosed
WO-1999051569-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1999-10-14 WO disclosed