SCHEMBL9044694

SCHEMBL9044694

CC=C(C=C(C)C(=O)O)C(=O)OCCOC(=O)C(C=C(C)C(=O)O)=CC

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.33
CYP2C9 P11712 1/20 0.32
HCAR2 Q8TDS4 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
SCHEMBL28169972 0.88 ATM (0.47) HCAR2
SCHEMBL28154447 0.86 NPSR1 (0.42) CYP2C9HCAR2
SCHEMBL28464004 0.82
SCHEMBL27468054 0.79 ALDH1A1 (0.36) CYP2C9
SCHEMBL27920915 0.78 HCAR2 (0.46) THRBHCAR2
SCHEMBL1683513 0.75 PTGS1 (0.34) CYP2C9
SCHEMBL10875523 0.75 PTGS1 (0.34) CYP2C9
SCHEMBL11372011 0.74
SCHEMBL27388670 0.74 TSHR (0.30) HCAR2
SCHEMBL11867397 0.74 ATM (0.44) HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0697219-A2 Polymer blends for use in making medical devices including catheters and balloons for dilatation catheters ADVANCED CARDIOVASCULAR SYSTEMS, INC. (US) 1996-02-21 EP claimed