SCHEMBL8586282

SCHEMBL8586282

COc1ccc(CC2CCCCC2O)cc1[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SELP P16109 6/20 0.61
SELL P14151 3/20 0.61
CA1 P00915 7/20 0.51
CA2 P00918 7/20 0.51
CA4 P22748 4/20 0.51
CA6 P23280 4/20 0.51
SLC5A2 P31639 4/20 0.44
CA9 Q16790 3/20 0.40
CA12 O43570 1/20 0.40
SHBG P04278 2/20 0.39
SLC5A1 P13866 2/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL8587616 0.86 SELP (0.56) SELPSELLCA1CA2CA4
SCHEMBL8587615 0.81 CA1 (0.45) SELPSELLCA1CA2CA4
SCHEMBL8585085 0.78 SELP (0.71) SELPSELLSLC5A2SLC5A1
SCHEMBL8584062 0.78 SELP (0.71) SELPSELLSLC5A2SLC5A1
SCHEMBL8586232 0.76 SELP (1.00) SELPSELLSLC5A2SLC5A1
SCHEMBL13272228 0.76 SELP (1.00) SELPSELLSLC5A2SLC5A1
SCHEMBL8587436 0.74 SELP (0.87) SELPSELLSLC5A2SLC5A1
SCHEMBL8586538 0.72 SELP (1.00) SELPSELLSLC5A2SLC5A1
SCHEMBL8586839 0.70 SELP (0.51) SELPSELLSLC5A2SLC5A1
SCHEMBL8586787 0.70 SELP (0.53) SELPSELLSLC5A2SLC5A1LMNA

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
WO-1998031697-A1 ARYL C-GLYCOSIDE COMPOUNDS AND SULFATED ESTERS THEREOF SANKYO COMPANY, LIMITED (JP) 1998-07-23 WO disclosed