SCHEMBL4780758

SCHEMBL4780758

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

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.36

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
SCHEMBL8017717 0.82 GRIK1 (0.31)
SCHEMBL4258914 0.80 PTGS1 (0.40) PTGS1
SCHEMBL6230749 0.77 PTGS1 (0.30) PTGS1
SCHEMBL27634087 0.75 PTGS1 (0.33) PTGS1
SCHEMBL4343590 0.75 TP53 (0.36) PTGS1
SCHEMBL358281 0.74 HPGD (0.31) PTGS1
SCHEMBL3791596 0.74 PTGS1 (0.55) PTGS1
SCHEMBL2729477 0.74 PTGS1 (0.55) PTGS1
SCHEMBL1900173 0.74 PTGS1 (0.55) PTGS1
SCHEMBL10482273 0.73 AKR1C3 (0.45)

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
WO-2008006506-A1 PHARMACEUTICAL PREPARATION FOR ORAL ADMINISTRATION WITH CONTROLLED ACTIVE INGREDIENT RELEASE IN THE SMALL INTESTINE AND METHODS FOR ITS PRODUCTION DR. R. PFLEGER CHEMISCHE FABRIK GMBH (DE) 2008-01-17 WO disclosed