SCHEMBL6696583

SCHEMBL6696583

CC(=CCCO)C(=O)O.CCC=C(C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CD81 P60033 2/20 0.37
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
PPARG P37231 1/20 0.33
EP300 Q09472 1/20 0.32
BACE1 P56817 1/20 0.31

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
SCHEMBL9450763 1.00 CD81 (0.37) CD81GRIK1GRIK2PPARGEP300
Acrylic Acid SCHEMBL11062696 0.92 LMNA (0.37) CD81GRIK1GRIK2PPARG
SCHEMBL45793 0.91
SCHEMBL16092 0.91
SCHEMBL28832685 0.91 CD81 (0.41) CD81PPARGEP300BACE1
Acetone SCHEMBL8337338 0.89 CD81 (0.40) CD81PPARGEP300BACE1
Ethylene Glycol SCHEMBL2696758 0.89 GRIK1 (0.36) CD81GRIK1GRIK2EP300
Ethylene Glycol SCHEMBL28863335 0.89 CD81 (0.40) CD81PPARGEP300BACE1
SCHEMBL28531941 0.89 CD81 (0.40) CD81PPARGEP300BACE1
Phosphine SCHEMBL28166002 0.89 CD81 (0.40) CD81GRIK2PPARGEP300BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004526499-A 2004-09-02 JP claimed
EP-1399094-A4 MEDICATED STENT HAVING MULTI-LAYER POLYMER COATING STS BIOPOLYMERS INC (US) 2004-07-28 EP claimed
EP-1399094-A2 MEDICATED STENT HAVING MULTI-LAYER POLYMER COATING STS Biopolymers, Inc. (US) 2004-03-24 EP claimed
WO-2002074194-A2 STENT WITH MEDICATED MULTI-LAYER HYDRID POLYMER COATING STS BIOPOLYMERS, INC. (US) 2002-09-26 WO claimed
EP-0537338-A1 THERMALLY STABLE COMPOSITIONS AND LUBRICANTS AND FUNCTIONAL FLUIDS CONTAINING THE SAME. LUBRIZOL CORP (US) 1993-04-21 EP disclosed