SCHEMBL16367194

SCHEMBL16367194

CC(=O)NC1C(O)OC2COC(C)(C)O[C@H]2C1O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.47
▸ CA2 P00918 5/20 0.36
▸ CA1 P00915 4/20 0.36
▸ ASGR1 P07306 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ PKM P14618 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ MGAM O43451 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ SI P14410 1/20 0.30
▸ ACHE P22303 1/20 0.30
▸ MGAM2 Q2M2H8 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
SCHEMBL2503399 1.00 KMT2A (0.47) KMT2ACA2CA1ASGR1ALDH1A1
SCHEMBL12391259 1.00 KMT2A (0.47) KMT2ACA2CA1ASGR1ALDH1A1
SCHEMBL16864092 1.00 KMT2A (0.47) KMT2ACA2CA1ASGR1ALDH1A1
SCHEMBL8823006 1.00 KMT2A (0.47) KMT2ACA2CA1ASGR1ALDH1A1
SCHEMBL13129796 0.87 KMT2A (0.37) KMT2ACA2CA1ASGR1ALDH1A1
SCHEMBL10209192 0.84 ALDH1A1 (0.40) KMT2ACA2CA1ASGR1ALDH1A1
SCHEMBL12560770 0.82 MAPK1 (0.40) KMT2ACA2CA1ASGR1ALDH1A1
SCHEMBL16217983 0.82 KMT2A (0.60) KMT2AASGR1ALDH1A1L3MBTL1PKM
SCHEMBL16217765 0.82 KMT2A (0.60) KMT2AASGR1ALDH1A1L3MBTL1PKM
SCHEMBL7566969 0.80 KMT2A (0.37) KMT2ACA2CA1ASGR1CA9

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-8916544-B2 Hybrid SCFA-hydroxyl-derivatized monosaccharides, methods of synthesis, and methods of treating disorders THE JOHNS HOPKINS UNIVERSITY (US) 2014-12-23 — — US disclosed
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