SCHEMBL2587585

SCHEMBL2587585

CCOC(=O)Cc1cccc(-c2cc(CCCCCCc3ccc(OC)c(-c4cccc(CC(=O)OCC)c4)c3)ccc2OC)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SELP P16109 2/20 0.47
SELPLG Q14242 1/20 0.47
PPARA Q07869 5/20 0.46
PPARG P37231 4/20 0.46
HTR7 P34969 1/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FFAR1 O14842 2/20 0.41
PDE4D Q08499 1/20 0.41
RECQL P46063 1/20 0.41
ALOX5 P09917 1/20 0.40

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
SCHEMBL8710187 0.97 PPARA (0.52) SELPSELPLGPPARAPPARG
SCHEMBL8205873 0.95 PPARA (0.44) SELPSELPLGPPARAPPARGHTR7
SCHEMBL8200129 0.88 JAK2 (0.49) SELPSELPLGHTR7FFAR1PDE4D
SCHEMBL2589280 0.86 PPARA (0.48) SELPSELPLGPPARAPPARGNPC1
SCHEMBL2592720 0.83 HTR7 (0.56) SELPPPARGHTR7NPC1PKM
SCHEMBL2585434 0.82 CTNNB1 (0.44) NPC1PKMNFKB1RAB9ANFKB2
SCHEMBL8200551 0.81 PPARA (0.44) SELPSELPLGPPARAPPARGNPC1
SCHEMBL8201339 0.79 THRA (0.43) PPARAPPARGL3MBTL1PDE4DRECQL
SCHEMBL8333162 0.79 PTPN11 (0.46) PPARAPPARGFFAR1
SCHEMBL3756356 0.78 FFAR1 (0.44) PPARAPPARGNPC1PKMNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2566580-A1 PROCESS FOR THE PREPARATION OF BIMOSIAMOSE Revotar Biopharmaceuticals AG (DE) 2013-03-13 EP claimed
WO-2011138365-A1 PROCESS FOR THE PREPARATION OF BIMOSIAMOSE REVOTAR BIOPHARMACEUTICALS AG (DE) 2011-11-10 WO claimed
CN-103002951-A Process for the preparation of new compound REVOTAR BIOPHARMACEUTICALS AG 2013-03-27 CN disclosed
EP-2566580-A1 PROCESS FOR THE PREPARATION OF BIMOSIAMOSE Revotar Biopharmaceuticals AG (DE) 2013-03-13 EP disclosed
EP-2566580-A1 PROCESS FOR THE PREPARATION OF BIMOSIAMOSE Revotar Biopharmaceuticals AG (DE) 2013-03-13 EP disclosed
WO-2011138365-A1 PROCESS FOR THE PREPARATION OF BIMOSIAMOSE REVOTAR BIOPHARMACEUTICALS AG (DE) 2011-11-10 WO disclosed
WO-2011138365-A1 PROCESS FOR THE PREPARATION OF BIMOSIAMOSE REVOTAR BIOPHARMACEUTICALS AG (DE) 2011-11-10 WO disclosed
EP-0840606-B1 DI- AND TRIVALENT SMALL MOLECULE SELECTIN INHIBITORS TEXAS BIOTECHNOLOGY CORP (US) 2000-06-07 EP disclosed
US-5919768-A COMPOUNDS WHICH INHIBIT BINDING OF SELECTINS TO SIALYL-LEWIS-X AND SIALYL-LEWIS-A CARBOHYDRATES TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-07-06 US disclosed