SCHEMBL7954963

SCHEMBL7954963

CCC[C@@H]1C[C@@H]([C@H](O)CO)OC1=O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MANBA O00462 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
HIF1A Q16665 1/20 0.38
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL3236497 1.00 KMT2A (0.43) KMT2AMANBALMNATHRBHIF1A
SCHEMBL3265510 0.88 POLB (0.40) KMT2AMANBALMNATHRBHIF1A
SCHEMBL7955722 0.88 POLB (0.40) KMT2AMANBALMNATHRBHIF1A
Hydrochloric Acid SCHEMBL291832 0.83 KMT2A (0.44) KMT2AMEN1HTTSMN1; SMN2CYP2C9
SCHEMBL8149511 0.79 LMNA (0.42) MANBALMNATHRBHIF1A
SCHEMBL4749440 0.79 LMNA (0.42) MANBALMNATHRBHIF1A
SCHEMBL12239952 0.75 LMNA (0.46) MANBALMNATHRBHIF1A
SCHEMBL7153061 0.75 LMNA (0.46) MANBALMNATHRBHIF1A
SCHEMBL7150023 0.75 LMNA (0.46) MANBALMNATHRBHIF1A
SCHEMBL7150099 0.75 LMNA (0.46) MANBALMNATHRBHIF1A

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
WO-2010024772-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-03-04 WO disclosed