SCHEMBL6008105

SCHEMBL6008105

COC(C)CC(=O)OCC[O]

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.30
ADRA1A P35348 1/20 0.30
PRKCA P17252 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
SCHEMBL28244712 0.83 NAAA (0.36)
SCHEMBL2529388 0.80 MMP1 (0.42) ADRA2AADRA1APRKCA
SCHEMBL10047559 0.80 CYP19A1 (0.36) ADRA2AADRA1A
SCHEMBL16217590 0.80 ALDH1A1 (0.33) ADRA2AADRA1A
SCHEMBL548228 0.80 NAAA (0.47)
SCHEMBL17068924 0.79 PRKCA (0.34) PRKCA
SCHEMBL5692410 0.78 MGAM (0.48)
SCHEMBL14790423 0.78 MGAM (0.48)
SCHEMBL17068925 0.77 PRKCA (0.33) PRKCA
SCHEMBL16217592 0.77 NAAA (0.32) ADRA2AADRA1A

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
WO-1997048444-A1 IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS BECTON DICKINSON AND COMPANY (US) 1997-12-24 WO claimed
EP-0920345-A4 IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS VYTERIS INC (US) 2006-05-10 EP disclosed
EP-0920345-A1 IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS Becton Dickinson and Company (US) 1999-06-09 EP disclosed
EP-0828737-A1 ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-03-18 EP disclosed
WO-1997048443-A1 IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS BECTON DICKINSON AND COMPANY (US) 1997-12-24 WO disclosed
WO-1997048444-A1 IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS BECTON DICKINSON AND COMPANY (US) 1997-12-24 WO disclosed