SCHEMBL8822973

SCHEMBL8822973

CC(=O)N[C@@H]1[C@@H](OCc2ccccc2)[C@H](O)[C@@H](COCc2ccccc2)O[C@@H]1O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SSTR4 P31391 6/20 0.53
▸ TP53 P04637 2/20 0.50
▸ MDM2 Q00987 2/20 0.50
▸ MDM4 O15151 1/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ HSP90AB1 P08238 1/20 0.47
▸ SSTR5 P35346 3/20 0.47
▸ SSTR1 P30872 2/20 0.47
▸ SSTR2 P30874 2/20 0.47
▸ SSTR3 P32745 2/20 0.47
▸ TACR2 P21452 3/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ TACR1 P25103 1/20 0.43
▸ BCHE P06276 1/20 0.42
▸ NT5E P21589 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ KMT2A Q03164 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
SCHEMBL15516519 0.92 TP53 (0.55) SSTR4TP53MDM2MDM4HSP90AA1
SCHEMBL5840823 0.90 SSTR5 (0.52) SSTR4TP53MDM2SSTR5SSTR1
SCHEMBL16632757 0.90 SSTR5 (0.52) SSTR4TP53MDM2SSTR5SSTR1
SCHEMBL22053387 0.90 SSTR5 (0.52) SSTR4TP53MDM2SSTR5SSTR1
SCHEMBL5840827 0.90 SSTR5 (0.52) SSTR4TP53MDM2SSTR5SSTR1
SCHEMBL5841003 0.90 SSTR5 (0.52) SSTR4TP53MDM2SSTR5SSTR1
SCHEMBL5840925 0.90 SSTR5 (0.52) SSTR4TP53MDM2SSTR5SSTR1
SCHEMBL5841004 0.90 SSTR5 (0.52) SSTR4TP53MDM2SSTR5SSTR1
SCHEMBL31134199 0.89 MAPK1 (0.58) MAPK1
SCHEMBL8822997 0.89 MAPK1 (0.58) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0570682-B1 Synthetic lipid A glycoconjugate antigens for use in vaccines AMERICAN CYANAMID CO (US) 1997-07-23 — — EP disclosed
EP-0570682-A1 Synthetic lipid A glycoconjugate antigens for use in vaccines AMERICAN CYANAMID COMPANY (US) 1993-11-24 — — EP disclosed
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