SCHEMBL8939201

SCHEMBL8939201

COC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.43
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
EPHX2 P34913 3/20 0.41
CYP2D6 P10635 1/20 0.37
THRB P10828 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LGALS9 O00182 1/20 0.34
LGALS1 P09382 1/20 0.34
LGALS3 P17931 1/20 0.34
LGALS7; LGALS7B P47929 1/20 0.34
CD69 Q07108 1/20 0.34
LGALS8 O00214 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
SLC28A3 Q9HAS3 1/20 0.33

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
SCHEMBL3418341 0.94 CDK1 (0.43) LDHACDK1CCNB1EPHX2CYP2D6
SCHEMBL1614946 0.89 CDK1 (0.42) LDHACDK1CCNB1EPHX2LGALS9
SCHEMBL2888526 0.88 CYP2D6 (0.38) LDHACDK1CCNB1EPHX2CYP2D6
SCHEMBL4581260 0.86 CYP2D6 (0.41) LDHACDK1CCNB1EPHX2CYP2D6
SCHEMBL8939185 0.85 LDHA (0.41) LDHACDK1CCNB1EPHX2LGALS9
Sucrose Octaacetate SCHEMBL7153020 0.84 CDK1 (0.50) LDHACDK1CCNB1EPHX2CYP2D6
Sulfuric Acid SCHEMBL9705769 0.83 LDHA (0.36) LDHACDK1CCNB1EPHX2CYP2D6
SCHEMBL8038328 0.81 CYP2D6 (0.47) CYP2D6THRBHSD17B10CA2CA9
SCHEMBL742762 0.78 LDHA (0.40) LDHACDK1CCNB1EPHX2LGALS9
SCHEMBL14435948 0.78 CYP2D6 (0.41) LDHACDK1CCNB1EPHX2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0688346-A4 POLYMERS HAVING ENHANCED THERMAL STABILITIES AND METHODS FOR THEIR PREPARATION HAWAIIAN SUGAR PLANTERS ASSOC (US) 1996-06-12 EP disclosed
EP-0688346-A1 POLYMERS HAVING ENHANCED THERMAL STABILITIES AND METHODS FOR THEIR PREPARATION HAWAIIAN SUGAR PLANTERS' ASSOCIATION (US) 1995-12-27 EP disclosed
WO-1994020573-A2 POLYMERS HAVING ENHANCED THERMAL STABILITIES AND METHODS FOR THEIR PREPARATION HAWAIIAN SUGAR PLANTERS' ASSOCIATION (US) 1994-09-15 WO disclosed