SCHEMBL8200129

SCHEMBL8200129

COC(=O)Cc1cccc(-c2cc(CCCCc3ccc(OC)c(-c4cccc(CC(=O)OC)c4)c3)ccc2OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.49
JAK3 P52333 1/20 0.49
SELP P16109 2/20 0.48
SELPLG Q14242 1/20 0.48
PDE4D Q08499 2/20 0.47
FFAR1 O14842 2/20 0.46
HTR7 P34969 2/20 0.45
SLC7A5 Q01650 1/20 0.42
PLAAT3 P53816 1/20 0.42
PLAAT5 Q96KN8 1/20 0.42
PLAAT2 Q9NWW9 1/20 0.42
PLAAT4 Q9UL19 1/20 0.42
HPGD P15428 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
PDE4A P27815 1/20 0.41

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 0.88 SELP (0.47) SELPSELPLGPDE4DFFAR1HTR7
SCHEMBL8192753 0.88 PDE4D (0.55) JAK2JAK3PDE4DFFAR1HTR7
SCHEMBL8201063 0.86 ALDH1A1 (0.51) SELPSELPLGPDE4DSLC7A5HPGD
SCHEMBL8710187 0.85 PPARA (0.52) SELPSELPLG
SCHEMBL6553321 0.85 ALDH1A1 (0.50) SELPSELPLGPDE4DSLC7A5HPGD
SCHEMBL8205873 0.84 PPARA (0.44) SELPSELPLGPDE4DFFAR1HTR7
SCHEMBL7031826 0.83 HTR7 (0.63) JAK2JAK3SELPFFAR1HTR7
SCHEMBL17124777 0.81 JAK2 (0.55) JAK2JAK3HTR7HPGDCYP1A2
SCHEMBL8709712 0.81 ALDH1A1 (0.48) SLC7A5HPGDGABRA1GABRB2
SCHEMBL7735763 0.80 PTPN1 (0.54) JAK2JAK3FFAR1PLAAT3PLAAT5

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