SCHEMBL2589634

SCHEMBL2589634

CCCCSc1c(CC(C)(C)C(=O)O)[nH]c2ccc(OCc3ccc4ccccc4n3)c(Cc3ccc(Cl)cc3)c12

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 19/20 0.51
ALOX5 P09917 4/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL1811551 0.90 ALOX5AP (0.60) ALOX5APALOX5CYP3A4CYP2D6CYP2C9
SCHEMBL9520741 0.83 ALOX5AP (0.52) ALOX5APALOX5CYP3A4CYP2D6CYP2C9
SCHEMBL9522220 0.80 ALOX5AP (0.49) ALOX5APALOX5CYP3A4CYP2D6CYP2C9
SCHEMBL9043392 0.80 ALOX5AP (0.43) ALOX5APALOX5CYP3A4CYP2D6CYP2C9
SCHEMBL9521164 0.79 ALOX5AP (0.50) ALOX5APALOX5CYP3A4CYP2D6CYP2C9
SCHEMBL9388578 0.79 ALOX5AP (0.52) ALOX5APALOX5CYP3A4CYP2D6CYP2C9
SCHEMBL9387633 0.78 ALOX5AP (0.51) ALOX5APALOX5CYP3A4CYP2D6CYP2C9
SCHEMBL9388581 0.78 ALOX5AP (0.52) ALOX5APALOX5CYP3A4CYP2D6CYP2C9
SCHEMBL1806837 0.77 PTGES (0.47) ALOX5APALOX5CYP3A4CYP2C9PTGS2
SCHEMBL2107856 0.76 ALOX5AP (0.60) ALOX5APALOX5CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1947942-A2 METHODS FOR BONE TREATMENT BY MODULATING AN ARACHIDONIC ACID METABOLIC OR SIGNALING PATHWAY Accelalox, Inc. (US) 2008-07-30 EP claimed
WO-2007022427-A9 METHODS FOR BONE TREATMENT BY MODULATING AN ARACHIDONIC ACID METABOLIC OR SIGNALING PATHWAY ACCELALOX INC (US) 2007-10-18 WO claimed
WO-2007022427-A2 METHODS FOR BONE TREATMENT BY MODULATING AN ARACHIDONIC ACID METABOLIC OR SIGNALING PATHWAY ACCELALOX, INC. (US) 2007-02-22 WO claimed
EP-2563359-A1 NOVEL TREATMENT FOR AGE RELATED MACULAR DEGENERATION AND OCULAR ISCHEMIC DISEASE ASSOCIATED WITH COMPLEMENT ACTIVATION BY TARGETING 5-LIPOXYGENASE Allergan, Inc. (US) 2013-03-06 EP disclosed
WO-2011137363-A1 NOVEL TREATMENT FOR AGE RELATED MACULAR DEGENERATION AND OCULAR ISCHEMIC DISEASE ASSOCIATED WITH COMPLEMENT ACTIVATION BY TARGETING 5-LIPOXYGENASE ALLERGAN, INC. (US) 2011-11-03 WO disclosed
EP-1572185-A4 LIPOXYGENASE INHIBITORS AS HYPOLIPIDEMIC AND ANTI-HYPERTENSIVE AGENTS INSMED INC (US) 2009-02-25 EP disclosed
EP-1947942-A2 METHODS FOR BONE TREATMENT BY MODULATING AN ARACHIDONIC ACID METABOLIC OR SIGNALING PATHWAY Accelalox, Inc. (US) 2008-07-30 EP disclosed
WO-2008055317-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PROSTATE CANCER THE UNIVERSITY OF SYDNEY (AU) 2008-05-15 WO disclosed
WO-2007022427-A9 METHODS FOR BONE TREATMENT BY MODULATING AN ARACHIDONIC ACID METABOLIC OR SIGNALING PATHWAY ACCELALOX INC (US) 2007-10-18 WO disclosed
WO-2007022427-A2 METHODS FOR BONE TREATMENT BY MODULATING AN ARACHIDONIC ACID METABOLIC OR SIGNALING PATHWAY ACCELALOX, INC. (US) 2007-02-22 WO disclosed
EP-1572185-A1 LIPOXYGENASE INHIBITORS AS HYPOLIPIDEMIC AND ANTI-HYPERTENSIVE AGENTS Insmed Incorporated (US) 2005-09-14 EP disclosed
WO-2004058240-A1 LIPOXYGENASE INHIBITORS AS HYPOLIPIDEMIC AND ANTI-HYPERTENSIVE AGENTS INSMED INCORPORATED (US) 2004-07-15 WO disclosed
WO-1995024894-A9 USE OF LIPOXYGENASE INHIBITORS AS ANTI-CANCER THERAPEUTIC AND INTERVENTION AGENTS 1995-10-26 WO disclosed