SCHEMBL8201339

SCHEMBL8201339

CCOC(=O)Cc1cccc(-c2cc(C(=O)CCCCCOCCCCCC(=O)c3ccc(OC)c(-c4cccc(CC(=O)OCC)c4)c3)ccc2OC)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.43
THRB P10828 2/20 0.43
CTNNB1 P35222 2/20 0.39
WNT3A P56704 2/20 0.39
PTPN11 Q06124 2/20 0.38
PDE4B Q07343 3/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
RECQL P46063 1/20 0.36
PDE4D Q08499 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE4A P27815 2/20 0.36
PDE4C Q08493 2/20 0.36

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
SCHEMBL2585434 0.94 CTNNB1 (0.44) THRATHRBCTNNB1WNT3ARECQL
SCHEMBL8205873 0.85 PPARA (0.44) PTPN11PDE4BPPARGPPARAPDE4D
SCHEMBL2587585 0.79 SELP (0.47) PPARGPPARARECQLPDE4DL3MBTL1
SCHEMBL27917457 0.77 SLC6A4 (0.38) RECQLL3MBTL1
SCHEMBL8710187 0.77 PPARA (0.52) PTPN11PPARGPPARA
SCHEMBL2592720 0.77 HTR7 (0.56) PPARGL3MBTL1
SCHEMBL8333162 0.76 PTPN11 (0.46) PTPN11PPARGPPARA
SCHEMBL8200551 0.73 PPARA (0.44) THRATHRBPTPN11PPARGPPARA
SCHEMBL8339408 0.72 HTR7 (0.41) PPARGRECQLL3MBTL1
SCHEMBL8193447 0.72 P4HB (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0840606-A1 DI- AND TRIVALENT SMALL MOLECULE SELECTIN INHIBITORS TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-05-13 EP disclosed
EP-0840606-A4 1998-05-13 EP disclosed
WO-1997001335-A1 DI- AND TRIVALENT SMALL MOLECULE SELECTIN INHIBITORS TEXAS BIOTECHNOLOGY CORPORATION (US) 1997-01-16 WO disclosed