SCHEMBL8360632

SCHEMBL8360632

O=C(O[C@H]1C(S)O[C@H](CO)[C@H](O)[C@@H]1O)c1ccccc1O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 7/20 0.47
LGALS9 O00182 6/20 0.47
LGALS1 P09382 6/20 0.47
LGALS7; LGALS7B P47929 5/20 0.47
LGALS8 O00214 3/20 0.47
SLC28A3 Q9HAS3 2/20 0.42
LGALS4 P56470 1/20 0.40
SLC5A1 P13866 1/20 0.39
SLC5A2 P31639 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 1/20 0.38
BCHE P06276 2/20 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
SCHEMBL19754919 0.83 LGALS3 (0.56) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL14665819 0.83 LGALS3 (0.56) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL7752692 0.83 LGALS3 (0.63) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL6048087 0.83 LGALS3 (0.63) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL20009365 0.83 LGALS3 (0.56) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL4652290 0.81 SLC28A3 (0.55) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL1075010 0.78 SLC28A3 (0.49) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL15177428 0.75 LGALS3 (0.67) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL11413593 0.75 EPHX2 (0.48) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL20307167 0.75 SLC5A1 (0.44) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0954596-A1 ENHANCED PRODUCTION OF TAXANES BY CELL CULTURES OF $i(TAXUS) SPECIES PHYTON, INC. (US) 1999-11-10 EP disclosed
WO-1997044476-A1 ENHANCED PRODUCTION OF TAXANES BY CELL CULTURES OF TAXUS SPECIES PHYTON, INC. (US) 1997-11-27 WO disclosed