SCHEMBL8718896

SCHEMBL8718896

Cc1ccc(C(=O)C(O)[C@H]2OC(O)(Cl)[C@H](O)[C@@]2(O)C(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.34
CES2 O00748 2/20 0.33
CES1 P23141 2/20 0.33
LMNA P02545 2/20 0.32
GAA P10253 1/20 0.32
ALDH1A1 P00352 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3392385 0.76 HTT (0.31)
SCHEMBL1799677 0.75 HPGD (0.33) HPGDCES2CES1LMNAGAA
SCHEMBL8718920 0.75 HPGD (0.33) HPGDCES2CES1LMNAGAA
SCHEMBL2471234 0.75 HPGD (0.33) HPGDCES2CES1LMNAGAA
SCHEMBL6142770 0.75 HPGD (0.33) HPGDCES2CES1LMNAGAA
SCHEMBL2928916 0.73 CES2 (0.35) CES2CES1LMNA
SCHEMBL29153820 0.73 CES2 (0.35) CES2CES1LMNA
SCHEMBL29153821 0.73 CES2 (0.35) CES2CES1LMNA
SCHEMBL11104413 0.70 HPGD (0.33) HPGDCES2CES1LMNAGAA
SCHEMBL16446965 0.70 HPGD (0.33) HPGDCES2CES1LMNAGAA

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-5821357-A REACTING ALPHA-ANOMER ENRICHED 2,2-DIFLUOROCARBOHYDRATE WITH AT LEAST TWO MOLAR EQUIVALENTS OF METAL DERIVATIVE OF NUCLEOBASE IN LOW FREEZING INERT SOLVENT ELI LILLY AND COMPANY (US) 1998-10-13 US disclosed
US-5401838-A Reaction of sulfonate furanose with nucleobase ELI LILLY AND COMPANY (US) 1995-03-28 US disclosed
US-5371210-A Reacting alpha anomer enriched 2-deoxy-2,2-difluorocarbo-hydrate with nucleobase ELI LILLY AND COMPANY (US) 1994-12-06 US disclosed