SCHEMBL6535959

SCHEMBL6535959

CC(C)(C)OC(=O)N1CCCC1C(O)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.50
KLK5 Q9Y337 1/20 0.49
ACE P12821 1/20 0.48
PREP P48147 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GPR119 Q8TDV5 2/20 0.43
STS P08842 1/20 0.43
MAPK1 P28482 1/20 0.43
HCRTR2 O43614 1/20 0.43
RIPK1 Q13546 1/20 0.42
DPP4 P27487 1/20 0.42
FAP Q12884 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL28387244 1.00 KLK7 (0.50) KLK7KLK5ACEPREPMEN1
SCHEMBL30057132 1.00 KLK7 (0.50) KLK7KLK5ACEPREPMEN1
SCHEMBL25339275 1.00 KLK7 (0.50) KLK7KLK5ACEPREPMEN1
SCHEMBL25339274 1.00 KLK7 (0.50) KLK7KLK5ACEPREPMEN1
SCHEMBL3048813 0.86 FKBP1A (0.50) KLK7KLK5
SCHEMBL3859798 0.86 KLK7 (0.47) KLK7KLK5ACEPREPMEN1
SCHEMBL3048816 0.86 FKBP1A (0.50) KLK7KLK5
SCHEMBL11970256 0.86 KLK7 (0.47) KLK7KLK5ACEPREPMEN1
SCHEMBL3855675 0.86 KLK7 (0.47) KLK7KLK5ACEPREPMEN1
SCHEMBL3859795 0.86 KLK7 (0.47) KLK7KLK5ACEPREPMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242081-A4 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2004-07-21 EP disclosed
EP-1001933-A4 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2002-11-06 EP disclosed
EP-1242081-A1 CASPASES AND APOPTOSIS SmithKline Beecham Corporation (US) 2002-09-25 EP disclosed
WO-2001022966-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-05 WO disclosed
EP-1001933-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-24 EP disclosed
WO-1999006367-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-11 WO disclosed