SCHEMBL11415929

SCHEMBL11415929

CO[C@@H]1C[C@H](NC(C)=O)[C@@H](O)[C@@H](C)O1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DGAT2 Q96PD7 1/20 0.37
▸ FUCA1 P04066 1/20 0.36
▸ OGA O60502 2/20 0.34
▸ STAT3 P40763 5/20 0.34
▸ ROCK2 O75116 3/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ MTNR1A P48039 1/20 0.31
▸ MTNR1B P49286 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ PRKCQ Q04759 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
SCHEMBL7149816 1.00 DGAT2 (0.37) DGAT2FUCA1OGASTAT3ROCK2
SCHEMBL7154211 1.00 DGAT2 (0.37) DGAT2FUCA1OGASTAT3ROCK2
SCHEMBL10946179 1.00 DGAT2 (0.37) DGAT2FUCA1OGASTAT3ROCK2
SCHEMBL11162797 0.87 DGAT2 (0.37) DGAT2STAT3
SCHEMBL11162799 0.87 DGAT2 (0.37) DGAT2STAT3
SCHEMBL11160236 0.87 DGAT2 (0.37) DGAT2STAT3
SCHEMBL11169686 0.87 DGAT2 (0.37) DGAT2STAT3
SCHEMBL10946185 0.85 SMN1; SMN2 (0.33) STAT3SMN1; SMN2NPSR1MTNR1AMTNR1B
SCHEMBL19852932 0.82 DGAT2 (0.37) DGAT2STAT3KMT2A
SCHEMBL11153114 0.82 DGAT2 (0.37) DGAT2STAT3KMT2A

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-4181795-A Daunosamine synthesis PURDUE RESEARCH FOUNDATION (US) 1980-01-01 — — US disclosed
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