SCHEMBL9816232

SCHEMBL9816232

C=CCOCC(COCC(O)CO)OCC=C

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.52
CA2 P00918 5/20 0.52
CA7 P43166 4/20 0.52
USP2 O75604 1/20 0.37
CA9 Q16790 4/20 0.37
CA4 P22748 3/20 0.37
CYP2D6 P10635 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
SCHEMBL30390509 0.96 CA1 (0.46) CA1CA2CA7USP2CA9
SCHEMBL15025253 0.93 CA1 (0.52) CA1CA2CA7USP2CA9
SCHEMBL12937810 0.91 CA1 (0.50) CA1CA2CA7USP2CA9
SCHEMBL12937806 0.91 CA1 (0.50) CA1CA2CA7USP2CA9
SCHEMBL17219352 0.91 CA1 (0.44) CA1CA2CA7USP2CA9
SCHEMBL9816264 0.89 CA1 (0.50) CA1CA2CA7USP2CA9
SCHEMBL8754223 0.89 CA1 (0.63) CA1CA2CA7USP2CA9
SCHEMBL13755789 0.87 CA1 (0.61) CA1CA2CA7USP2CA9
SCHEMBL13755787 0.87 CA1 (0.61) CA1CA2CA7USP2CA9
SCHEMBL9816229 0.87 CA1 (0.61) CA1CA2CA7USP2CA9

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
EP-0162239-B1 PERCUTANEOUS ABSORPTION ACCELERATOR AND PREPARATION CONTAINING SAME Kao Corporation (JP) 1991-08-07 EP disclosed
US-4948588-A ETHER DERIVATIVES OF GLYCEROLS OR POLYGLYCEROLS KAO CORPORATION (JP) 1990-08-14 US disclosed
US-4859696-A Precutaneous absorption accelerator and preparation containing same KAO CORPORATION (JP) 1989-08-22 US disclosed