SCHEMBL7075802

SCHEMBL7075802

CCS[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](Oc2c(C)ccc3ccccc23)[C@H]1OC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.45
PARP1 P09874 1/20 0.43
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA4 P22748 2/20 0.43
CA5A P35218 2/20 0.43
CA7 P43166 2/20 0.43
CA5B Q9Y2D0 2/20 0.43
CA9 Q16790 2/20 0.41

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
SCHEMBL5199522 0.85 LMNA (0.51) KDM4EALDH1A1LMNATSHR
SCHEMBL7078462 0.85 LMNA (0.51) KDM4EALDH1A1LMNATSHR
SCHEMBL7079171 0.85 LGALS3 (0.46) CA12CA1CA2CA4CA5A
SCHEMBL5200865 0.85 TSHR (0.48) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL3817357 0.78 PKM (0.68) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL7152987 0.77 PKM (0.70) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL3821203 0.77 PKM (0.70) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL12083331 0.77 PKM (0.70) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL12233107 0.77 PKM (0.70) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL4181385 0.77 PKM (0.70) KDM4EALDH1A1HPGDMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030045706-A1 Method for preparing functionalised beta-(1,3)-glucan derivatives LABORATOIRES GOEMAR (FR) 2003-03-06 US disclosed