SCHEMBL4367210

SCHEMBL4367210

CC1(C)CC(c2ccccc2)(c2cc(OCc3ccc4ccccc4n3)ccc2-c2nncs2)C1

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 20/20 0.63

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
SCHEMBL4326851 0.84 ALOX5AP (0.60) ALOX5AP
SCHEMBL4328667 0.81 ALOX5AP (0.79) ALOX5AP
SCHEMBL4312676 0.80 ALOX5AP (0.71) ALOX5AP
SCHEMBL4057182 0.78 ALOX5AP (0.84) ALOX5AP
SCHEMBL4315092 0.77 ALOX5AP (1.00) ALOX5AP
SCHEMBL4326800 0.77 ALOX5AP (0.82) ALOX5AP
SCHEMBL13750360 0.77 ALOX5AP (0.65) ALOX5AP
SCHEMBL4050080 0.76 ALOX5AP (1.00) ALOX5AP
SCHEMBL4321615 0.76 ALOX5AP (0.64) ALOX5AP
SCHEMBL4060007 0.76 ALOX5AP (0.82) ALOX5AP

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-1858513-A4 DIPHENYL SUBSTITUTED CYCLOALKANES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 2009-06-03 EP disclosed
EP-1858513-A1 DIPHENYL SUBSTITUTED CYCLOALKANES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 2007-11-28 EP disclosed
WO-2006098912-A1 DIPHENYL SUBSTITUTED CYCLOALKANES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 2006-09-21 WO disclosed