SCHEMBL7705224

SCHEMBL7705224

CC(=O)Oc1ccccc1CCCCC#CCSCC#CCCCCc1ccccc1OC(C)=O.CC(=O)Oc1ccccc1CCCCCC=CSC=CCCCCCc1ccccc1OC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.47
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL7996167 0.89 PTGS2 (0.56) PTGS2THRATHRBPPARGPPARA
SCHEMBL7984445 0.89 PTGS2 (0.56) PTGS2THRATHRBPPARGPPARA
SCHEMBL7996235 0.89 PTGS2 (0.56) PTGS2THRATHRBPPARGPPARA
SCHEMBL6247096 0.88 THRA (0.49) PTGS2THRATHRBPPARGPPARA
SCHEMBL3842939 0.88 PTGS2 (0.57) PTGS2THRATHRBPPARGPPARA
SCHEMBL6534901 0.84 PTGS2 (0.56) PTGS2THRATHRBPPARGPPARA
SCHEMBL6535167 0.80 PTGS2 (0.54) PTGS2THRATHRBPPARGPPARA
SCHEMBL7994631 0.77 PTGS2 (0.47) PTGS2THRATHRBPPARGPPARA
SCHEMBL7998380 0.77 PTGS2 (0.43) PTGS2THRATHRBPPARGPPARA
SCHEMBL7998691 0.77 PTGS2 (0.55) PTGS2THRATHRBPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263429-A1 ANTIVIRAL THERAPY Universiteit Utrecht (NL) 2002-12-11 EP disclosed
WO-2001068086-A1 ANTIVIRAL THERAPY UNIVERSITEIT UTRECHT (NL) 2001-09-20 WO disclosed