SCHEMBL4765037

SCHEMBL4765037

CC1(C(=O)OCc2ccccc2)CCC=CCN1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTR2C P28335 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
SCHEMBL19023356 0.80 DDB1 (0.49) DDB1CRBNALDH1A1
SCHEMBL19023358 0.80 DDB1 (0.49) DDB1CRBNALDH1A1
Hydrochloric Acid SCHEMBL29902217 0.78 DDB1 (0.48) DDB1CRBNALDH1A1
SCHEMBL17157158 0.78 DDB1 (0.48) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL472086 0.77 ALDH1A1 (0.46) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL15111143 0.72 DDB1 (0.44) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL15106205 0.72 DDB1 (0.44) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL18692576 0.71 ALDH1A1 (0.53) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL12621202 0.71 ALDH1A1 (0.53) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL5213485 0.71 DDB1 (0.51) DDB1CRBNALDH1A1HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307203-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2005-08-17 EP claimed
EP-1307203-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-05-07 EP claimed
WO-2001070232-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-27 WO claimed
EP-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1307203-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2005-08-17 EP disclosed
WO-2005013909-A2 NOVEL CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-02-17 WO disclosed
EP-1392657-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-03-10 EP disclosed
EP-1392657-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2004-03-03 EP disclosed
WO-2003053331-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-07-03 WO disclosed
EP-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 EP disclosed
WO-2003045909-A2 METHODS AND INTERMEDIATES FOR THE SYNTHESIS OF AZEPINES SMITHKLINE BEECHAM CORPORATION (US) 2003-06-05 WO disclosed
EP-1278502-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-05-21 EP disclosed
EP-1307203-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-05-07 EP disclosed
EP-1278502-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-01-29 EP disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO disclosed
WO-2001089451-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-11-29 WO disclosed
WO-2001070232-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-27 WO disclosed