SCHEMBL5345262

SCHEMBL5345262

CCOC(=O)C(NC(=O)C(C)c1ccc2ccccc2c1)C(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
AKR1C3 P42330 2/20 0.46
AKR1C2 P52895 2/20 0.46
MMP9 P14780 1/20 0.46
CYP2D6 P10635 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KCNH2 Q12809 1/20 0.45
UGT2B7 P16662 1/20 0.43
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
HIF1A Q16665 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
SCHEMBL5878417 0.84 AKR1C3 (0.54) AKR1C3AKR1C2MMP9CYP2D6SLC6A2
SCHEMBL15341770 0.84 AKR1C3 (0.54) AKR1C3AKR1C2MMP9CYP2D6SLC6A2
SCHEMBL6378903 0.77 MMP8 (0.50) AKR1C3AKR1C2MMP9CYP2D6SLC6A2
SCHEMBL15161021 0.77 TSHR (0.58) LMNAAKR1C3AKR1C2CYP1A2TSHR
SCHEMBL15160899 0.75 PTGS2 (0.54) LMNAAKR1C3AKR1C2CYP1A2TSHR
SCHEMBL17488483 0.75 PTGS2 (0.54) LMNAAKR1C3AKR1C2CYP1A2TSHR
SCHEMBL15160897 0.75 PTGS2 (0.53) AKR1C3AKR1C2CYP1A2TSHR
SCHEMBL15161062 0.75 PTGS2 (0.53) AKR1C3AKR1C2CYP1A2TSHR
SCHEMBL27734602 0.75 AKR1C3 (0.52) AKR1C3AKR1C2CYP2D6SLC6A2SLC6A4
SCHEMBL5860496 0.75 CYP2D6 (0.50) AKR1C3AKR1C2MMP9CYP2D6SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238775-B2 Receptor(SSTR4)-selective somatostatin analogs THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2007-07-03 US disclosed
US-20050245438-A1 Receptor(SSTR4)-selective somatostatin analogs THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2005-11-03 US disclosed
WO-2004009614-A2 RECEPTOR (SSTR4)- SELECTIVE SOMATOSTATIN ANALOGS THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2004-01-29 WO disclosed