SCHEMBL8155331

SCHEMBL8155331

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.44
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
EPHX2 P34913 4/20 0.42
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
SLC28A3 Q9HAS3 3/20 0.34
SYNJ2 O15056 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LGALS8 O00214 1/20 0.32

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
SCHEMBL9236785 0.95 LDHA (0.45) LDHACDK1CCNB1EPHX2MAPT
SCHEMBL1548134 0.87 CDK1 (0.54) LDHACDK1CCNB1EPHX2MAPT
SCHEMBL746716 0.87 CDK1 (0.40) LDHACDK1CCNB1EPHX2MAPT
SCHEMBL2941969 0.86 LDHA (0.45) LDHACDK1CCNB1EPHX2L3MBTL1
SCHEMBL9773588 0.86 LDHA (0.46) LDHACDK1CCNB1EPHX2MAPT
SCHEMBL3191785 0.85 CDK1 (0.51) LDHACDK1CCNB1EPHX2MAPT
SCHEMBL891534 0.84 CDK1 (0.55) LDHACDK1CCNB1EPHX2MAPT
SCHEMBL22047950 0.84 CDK1 (0.55) LDHACDK1CCNB1EPHX2MAPT
SCHEMBL742762 0.84 LDHA (0.40) LDHACDK1CCNB1EPHX2MAPT
Ammonia Solution, Strong SCHEMBL190255 0.83 CDK1 (0.54) LDHACDK1CCNB1EPHX2MAPT

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
US-6018033-A BIODEGRADABLE; FOR CONTROLLED RELEASE OF DRUGS PURDUE RESEARCH FOUNDATION (US) 2000-01-25 US claimed
US-6018033-A BIODEGRADABLE; FOR CONTROLLED RELEASE OF DRUGS PURDUE RESEARCH FOUNDATION (US) 2000-01-25 US disclosed
WO-1998051694-A2 HYDROPHILIC, HYDROPHOBIC, AND THERMOREVERSIBLE SACCHARIDE GELS AND FOAMS, AND METHODS FOR PRODUCING SAME PURDUE RESEARCH FOUNDATION (US) 1998-11-19 WO disclosed