SCHEMBL16864091

SCHEMBL16864091

CCCC(=O)OC1C(NC(C)=O)[C@H](OC(=O)CCC)OC2COC(C)(C)O[C@H]21

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 8/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ABCB1 P08183 1/20 0.32
▸ LY96 Q9Y6Y9 3/20 0.32
▸ CA1 P00915 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ CA9 Q16790 1/20 0.31

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
SCHEMBL15929443 1.00 TLR4 (0.35) TLR4L3MBTL1LMNAKMT2AABCB1
SCHEMBL15928020 1.00 TLR4 (0.35) TLR4L3MBTL1LMNAKMT2AABCB1
SCHEMBL2336438 1.00 TLR4 (0.35) TLR4L3MBTL1LMNAKMT2AABCB1
SCHEMBL7155167 0.84 LMNA (0.35) L3MBTL1LMNAKMT2ACA1CA2
SCHEMBL7566969 0.81 KMT2A (0.37) KMT2ACA1CA2CA9
SCHEMBL7566809 0.81 L3MBTL1 (0.34) L3MBTL1
SCHEMBL2802558 0.75 — —
SCHEMBL12560770 0.74 MAPK1 (0.40) L3MBTL1KMT2ACA1CA2
SCHEMBL10204186 0.73 CA2 (0.57) LMNAKMT2AABCB1CA1CA2
SCHEMBL14541656 0.72 MAPK1 (0.37) L3MBTL1

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-9067960-B2 Hybrid SCFA-hydroxyl-derivatized monosaccharides, methods of synthesis, and methods of treating disorders THE JOHNS HOPKINS UNIVERSITY (US) 2015-06-30 — — US disclosed
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