SCHEMBL7606028

SCHEMBL7606028

CCOC(=O)CCCc1ccc(O)c(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
CYP4Z1 Q86W10 2/20 0.49
CYP4F11 Q9HBI6 1/20 0.49
CYP4F12 Q9HCS2 1/20 0.49
CYP4F2 P78329 2/20 0.48
CYP4A11 Q02928 2/20 0.48
TNF P01375 1/20 0.46
APP P05067 1/20 0.46
ESR1 P03372 1/20 0.45
MAPK1 P28482 2/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC3 O15379 1/20 0.42

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
SCHEMBL3746070 0.91 CYP4F2 (0.58) ALOX5CYP4Z1CYP4F2CYP4A11TNF
SCHEMBL3683771 0.85 ALOX5 (0.46) ALOX5GAAHDAC1HDAC6
SCHEMBL135908 0.82 HDAC1 (0.51) CYP4Z1ESR1GAASMN1; SMN2HDAC3
SCHEMBL2874963 0.82 CYP4Z1 (0.48) ALOX5CYP4Z1CYP4F11CYP4F12CYP4F2
SCHEMBL19900035 0.82 CYP4Z1 (0.48) ALOX5CYP4Z1CYP4F11CYP4F12CYP4F2
SCHEMBL2291044 0.80 CYP4F2 (0.58) ALOX5CYP4Z1CYP4F11CYP4F12CYP4F2
SCHEMBL8848081 0.80 CYP4Z1 (0.49) ALOX5CYP4Z1CYP4F11CYP4F12CYP4F2
SCHEMBL7604379 0.80 CYP4Z1 (0.46) ALOX5CYP4Z1CYP4F11CYP4F12CYP4F2
SCHEMBL3740648 0.79 CYP4F2 (0.58) CYP4Z1CYP4F2CYP4A11TNFAPP
SCHEMBL9121505 0.79 CYP4Z1 (0.53) ALOX5CYP4Z1CYP4F11CYP4F12CYP4F2

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 5 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
CN-1304401-A Calcilytic compounds SMITHKINE BEECHAM CORP (US) 2001-07-18 CN 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