SCHEMBL7546626

SCHEMBL7546626

CCC(O)(C=C(C)C(=O)O)C=C(C)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.31
AKR1C3 P42330 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
SCHEMBL1401879 0.81 PTGS1 (0.31) PTGS1AKR1C3
SCHEMBL27483643 0.81 PTGS1 (0.31) PTGS1AKR1C3
SCHEMBL4202200 0.81 PTGS1 (0.31) PTGS1AKR1C3
SCHEMBL15053282 0.79 HMGCR (0.32) PTGS1AKR1C3
SCHEMBL15053281 0.79 HMGCR (0.32) PTGS1AKR1C3
SCHEMBL3260179 0.78 PTGS1 (0.32) PTGS1AKR1C3
SCHEMBL1009438 0.78 PTGS1 (0.32) PTGS1AKR1C3
SCHEMBL3260181 0.78 PTGS1 (0.32) PTGS1AKR1C3
SCHEMBL8071170 0.77
Ethylene Glycol SCHEMBL707152 0.77

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-0930865-B1 DENTAL RESTORATION COMPOSITION AND METHOD MUEHLBAUER WOLFGANG CARL FRIED (DE) 2002-06-12 EP disclosed
EP-0930865-A1 DENTAL RESTORATION COMPOSITION AND METHOD Mühlbauer, Wolfgang Carl Friedrich, Dr. (DE) 1999-07-28 EP disclosed
WO-1998011862-A1 DENTAL RESTORATION COMPOSITION AND METHOD MÜHLBAUER, Wolfgang, Carl, Friedrich (DE) 1998-03-26 WO disclosed