SCHEMBL2589280

SCHEMBL2589280

CCOC(=O)Cc1cccc(-c2cc(CCCCCCc3ccc(O)c(-c4cccc(CC(=O)OCC)c4)c3)ccc2O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.48
PPARG P37231 2/20 0.48
YWHAG P61981 1/20 0.45
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SELP P16109 2/20 0.42
SELPLG Q14242 1/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
ALOX5 P09917 2/20 0.41
KAT8 Q9H7Z6 2/20 0.40
BACE1 P56817 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
SCHEMBL8200551 0.94 PPARA (0.44) PPARAPPARGYWHAGNPC1PKM
SCHEMBL6553321 0.88 ALDH1A1 (0.50) YWHAGNPC1PKMNFKB1RAB9A
SCHEMBL8201063 0.86 ALDH1A1 (0.51) YWHAGNPC1PKMNFKB1RAB9A
SCHEMBL2587585 0.86 SELP (0.47) PPARAPPARGNPC1PKMNFKB1
SCHEMBL8709712 0.83 ALDH1A1 (0.48) NPC1PKMNFKB1RAB9ANFKB2
SCHEMBL8710187 0.83 PPARA (0.52) PPARAPPARGSELPSELPLG
SCHEMBL8205873 0.82 PPARA (0.44) PPARAPPARGNPC1PKMNFKB1
SCHEMBL27559039 0.79 FAAH (0.53) SMN1; SMN2CYP4F2CYP4A11THRATHRB
SCHEMBL2589668 0.78 PTPN11 (0.41) PPARAPPARGNPC1PKMNFKB1
SCHEMBL1630566 0.78 PPARA (0.65) PPARAPPARGCYP4F2CYP4A11

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