SCHEMBL5200865

SCHEMBL5200865

CC(=O)OC[C@H]1O[C@@H](S)[C@H](OC(C)=O)[C@@H](Oc2c(C)ccc3ccccc23)[C@@H]1OC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
LMNA P02545 3/20 0.43
PTPN1 P18031 1/20 0.42
KMT2A Q03164 1/20 0.42
PRKCA P17252 2/20 0.42
AKT1 P31749 2/20 0.42
PTK2 Q05397 2/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 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 0.89 LMNA (0.51) TSHRLMNAKMT2APRKCAAKT1
SCHEMBL7078462 0.89 LMNA (0.51) TSHRLMNAKMT2APRKCAAKT1
SCHEMBL7075802 0.85 KDM4E (0.47) TSHRLMNAKDM4EALDH1A1HPGD
SCHEMBL6690906 0.76 P4HB (0.53) TSHRLMNAKMT2APRKCAAKT1
SCHEMBL13576463 0.75 CYP2D6 (0.58) TSHRPTPN1
SCHEMBL2353098 0.75 CYP2D6 (0.58) TSHRPTPN1
SCHEMBL1582644 0.75 CYP2D6 (0.58) TSHRPTPN1
SCHEMBL12716359 0.75 CYP2D6 (0.58) TSHRPTPN1
SCHEMBL9887803 0.75 CYP2D6 (0.58) TSHRPTPN1
SCHEMBL3556856 0.75 CYP2D6 (0.58) TSHRPTPN1

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-1252171-B1 METHOD FOR PREPARING FUNCTIONALISED BETA-(1,3)-GLUCAN DERIVATIVES GOEMAR LAB SA (FR) 2007-08-15 EP disclosed
EP-1252171-A1 METHOD FOR PREPARING FUNCTIONALISED BETA-(1,3)-GLUCAN DERIVATIVES LABORATOIRES GOEMAR S.A. (FR) 2002-10-30 EP disclosed
WO-2001057053-A1 METHOD FOR PREPARING FUNCTIONALISED BETA-(1,3)-GLUCAN DERIVATIVES LABORATOIRES GOEMAR (FR) 2001-08-09 WO disclosed