SCHEMBL8822994

SCHEMBL8822994

CC(=O)N[C@@H]1[C@@H](OCc2ccccc2)[C@@H]2OC(C)(C)OC[C@H]2O[C@@H]1O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ KMT2A Q03164 2/20 0.39
▸ MAG P20916 1/20 0.36
▸ TMEM97 Q5BJF2 2/20 0.36
▸ SIGMAR1 Q99720 2/20 0.36
▸ TP53 P04637 1/20 0.35
▸ MDM2 Q00987 1/20 0.35
▸ HCRTR2 O43614 2/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ PDPK1 O15530 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HRAS P01112 1/20 0.34

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
SCHEMBL5308210 0.84 L3MBTL1 (0.54) L3MBTL1KMT2AMAGTMEM97SIGMAR1
SCHEMBL1836110 0.84 L3MBTL1 (0.54) L3MBTL1KMT2AMAGTMEM97SIGMAR1
SCHEMBL10832730 0.83 L3MBTL1 (0.61) L3MBTL1KMT2AMAGTMEM97SIGMAR1
SCHEMBL9473154 0.81 L3MBTL1 (0.53) L3MBTL1KMT2AMAGTMEM97SIGMAR1
SCHEMBL16146137 0.80 ALDH1A1 (0.42) KMT2A
SCHEMBL11281689 0.80 L3MBTL1 (0.50) L3MBTL1KMT2AMAGTMEM97SIGMAR1
SCHEMBL7151120 0.79 L3MBTL1 (0.45) L3MBTL1TMEM97SIGMAR1HCRTR2HCRTR1
SCHEMBL10947656 0.79 L3MBTL1 (0.52) L3MBTL1KMT2AMAGHCRTR2BCHE
SCHEMBL9187189 0.79 L3MBTL1 (0.50) L3MBTL1KMT2AMAGHCRTR2HCRTR1
SCHEMBL10148633 0.79 L3MBTL1 (0.38) L3MBTL1KMT2ATMEM97SIGMAR1PDPK1

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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