SCHEMBL8939185

SCHEMBL8939185

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.41
EPHX2 P34913 4/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
LGALS8 O00214 2/20 0.33
LGALS9 O00182 1/20 0.33
LGALS1 P09382 1/20 0.33
LGALS3 P17931 1/20 0.33
LGALS7; LGALS7B P47929 1/20 0.33
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SLC28A3 Q9HAS3 1/20 0.31
MAPT P10636 1/20 0.31
SYNJ2 O15056 1/20 0.31

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
SCHEMBL742762 0.94 LDHA (0.40) LDHAEPHX2CDK1CCNB1LGALS8
SCHEMBL746716 0.89 CDK1 (0.40) LDHAEPHX2CDK1CCNB1LGALS8
SCHEMBL745909 0.89 LDHA (0.35) LDHAEPHX2CDK1CCNB1LGALS8
SCHEMBL8939201 0.85 LDHA (0.43) LDHAEPHX2CDK1CCNB1LGALS8
SCHEMBL9236785 0.83 LDHA (0.45) LDHAEPHX2CDK1CCNB1LGALS8
SCHEMBL3418341 0.79 CDK1 (0.43) LDHAEPHX2CDK1CCNB1LGALS9
SCHEMBL8155331 0.79 LDHA (0.44) LDHAEPHX2CDK1CCNB1LGALS8
SCHEMBL3191785 0.78 CDK1 (0.51) LDHAEPHX2CDK1CCNB1LGALS8
SCHEMBL9773588 0.77 LDHA (0.46) LDHAEPHX2CDK1CCNB1LGALS8
SCHEMBL8675800 0.77 CYP2D6 (0.31)

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