SCHEMBL8205873

SCHEMBL8205873

CCOC(=O)Cc1cccc(-c2cc(CCCCCCOCCCCCCc3ccc(OC)c(-c4cccc(CC(=O)OCC)c4)c3)ccc2OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.44
PPARG P37231 4/20 0.44
SELP P16109 2/20 0.44
SELPLG Q14242 1/20 0.44
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
PTPN11 Q06124 2/20 0.39
ALOX5 P09917 1/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR7 P34969 1/20 0.38
FFAR1 O14842 1/20 0.38

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
SCHEMBL2587585 0.95 SELP (0.47) PPARAPPARGSELPSELPLGPDE4D
SCHEMBL8710187 0.92 PPARA (0.52) PPARAPPARGSELPSELPLGPTPN11
SCHEMBL8200551 0.88 PPARA (0.44) PPARAPPARGSELPSELPLGL3MBTL1
SCHEMBL8201339 0.85 THRA (0.43) PPARAPPARGPDE4APDE4BPDE4C
SCHEMBL8200129 0.84 JAK2 (0.49) SELPSELPLGPDE4APDE4BPDE4C
SCHEMBL2589280 0.82 PPARA (0.48) PPARAPPARGSELPSELPLGL3MBTL1
SCHEMBL8206180 0.81 SELP (0.73) PPARAPPARGSELPSELPLG
SCHEMBL8206178 0.81 SELP (0.73) PPARAPPARGSELPSELPLG
SCHEMBL2592720 0.79 HTR7 (0.56) PPARGSELPL3MBTL1ALOX5NPC1
SCHEMBL8333162 0.79 PTPN11 (0.46) PPARAPPARGPTPN11FFAR1

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 1 patent. 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