SCHEMBL2595290

SCHEMBL2595290

CC(C)(C)OC(=O)[C@@](CCCCN)(NC(=O)C(F)(F)F)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.35
DGAT1 O75907 1/20 0.33
THRB P10828 1/20 0.31
PKM P14618 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
HTT P42858 1/20 0.31
ODC1 P11926 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL29454707 0.81 DGAT1 (0.34) DGAT1THRBPKMHTTODC1
SCHEMBL16411264 0.80 DGAT1 (0.33) DGAT1THRBPKMHTTODC1
SCHEMBL28165431 0.74 ITGB3 (0.34) DGAT1ODC1
Hydrochloric Acid SCHEMBL2543241 0.74 NAALAD2 (0.39) HRH4HRH3ODC1
SCHEMBL7389000 0.73 MEN1 (0.45) CTSK
SCHEMBL9073508 0.73 MEN1 (0.45) CTSK
SCHEMBL30169556 0.71 DGAT1 (0.34) DGAT1THRBODC1
SCHEMBL30496007 0.71 LTA4H (0.35)
SCHEMBL15415012 0.71 DGAT1 (0.36) DGAT1THRBODC1
SCHEMBL17077599 0.70 AKT1 (0.33) THRBPKMHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571496-A1 CONTROLLED DRUG RELEASE FROM DENDRIMERS Prolynx Llc (US) 2013-03-27 EP disclosed
WO-2011140376-A1 CONTROLLED DRUG RELEASE FROM DENDRIMERS PROLYNX LLC (US) 2011-11-10 WO disclosed