SCHEMBL20080451

SCHEMBL20080451

c1cc(COC[C@H]2CO2)oc1COC[C@@H]1CO1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.45
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 9/20 0.41
TP53 P04637 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HIF1A Q16665 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
GLA P06280 1/20 0.39
MAPT P10636 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HPGD P15428 2/20 0.37
GAA P10253 2/20 0.37
LMNA P02545 2/20 0.37
PKM P14618 2/20 0.37
CYP1A2 P05177 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL12017369 1.00 TSHR (0.45) TSHRTDP1ALDH1A1TP53SMN1; SMN2
SCHEMBL23509547 1.00 TSHR (0.45) TSHRTDP1ALDH1A1TP53SMN1; SMN2
SCHEMBL12017373 0.94 TSHR (0.41) TSHRTDP1ALDH1A1TP53SMN1; SMN2
SCHEMBL16715745 0.91 TSHR (0.42) TSHRTDP1ALDH1A1TP53SMN1; SMN2
SCHEMBL16715946 0.91 SMN1; SMN2 (0.42) TSHRTDP1ALDH1A1TP53SMN1; SMN2
SCHEMBL20080513 0.87 SMN1; SMN2 (0.39) TSHRTDP1ALDH1A1TP53SMN1; SMN2
SCHEMBL9768605 0.83 ALDH1A1 (0.46) TSHRTDP1ALDH1A1TP53SMN1; SMN2
SCHEMBL9509423 0.82 TSHR (0.35) TSHRTDP1ALDH1A1TP53SMN1; SMN2
SCHEMBL17275062 0.80 TSHR (0.42) TSHRTDP1ALDH1A1TP53SMN1; SMN2
SCHEMBL731016 0.78 TSHR (0.48) TSHRTDP1ALDH1A1TP53SMN1; SMN2

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-3148989-B1 METHOD FOR PRODUCING COMPOSITIONS OF FURAN GLYCIDYL ETHERS, COMPOSITIONS PRODUCED AND USES OF SAME ROQUETTE FRERES (FR) 2018-04-25 EP disclosed