SCHEMBL6154526

SCHEMBL6154526

CCC(=O)CCCCc1cc(C2(C)CC2CO)cc2c1OCC2(C)C

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.37
PTGS1 P23219 12/20 0.35
ALOX5 P09917 6/20 0.35

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
SCHEMBL6157219 0.88 PTGS2 (0.42) PTGS2PTGS1ALOX5
SCHEMBL6158740 0.86 PTGS2 (0.38) PTGS2PTGS1ALOX5
SCHEMBL6156608 0.75 PTGS2 (0.32) PTGS2PTGS1ALOX5
SCHEMBL6154450 0.74 SLC5A2 (0.36) PTGS2PTGS1ALOX5
SCHEMBL6154355 0.74 PTGS2 (0.35) PTGS2PTGS1ALOX5
SCHEMBL6154685 0.74 PTGS2 (0.42) PTGS2PTGS1ALOX5
SCHEMBL6158924 0.74 PTGS2 (0.32) PTGS2PTGS1ALOX5
SCHEMBL6875997 0.74 PTGS2 (0.32) PTGS2PTGS1ALOX5
SCHEMBL6153090 0.72 PTGS2 (0.48) PTGS2PTGS1ALOX5
SCHEMBL6758647 0.72 PTGS1 (0.32) PTGS2PTGS1ALOX5

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-1499578-A2 PRIME RING SUBSTITUTED THYROID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CARDIAC AND METABOLIC DISORDERS KARO BIO AB (SE) 2005-01-26 EP disclosed
WO-2003018515-A2 PRIME RING SUBSTITUTED THYROID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CARDIAC AND METABOLIC DISORDERS KARO BIO AB (SE) 2003-03-06 WO disclosed