SCHEMBL5436141

SCHEMBL5436141

CCCCCC1(O)O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.34
HPSE Q9Y251 3/20 0.33
POLB P06746 1/20 0.33
FASN P49327 1/20 0.33
CPT2 P23786 1/20 0.32
POLA1 P09884 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
SCHEMBL1537221 1.00 AKT1 (0.34) AKT1HPSEPOLBFASNCPT2
SCHEMBL19326774 0.98 AKT1 (0.36) AKT1HPSEPOLBFASNCPT2
SCHEMBL13858353 0.98 AKT1 (0.36) AKT1HPSEPOLBFASNCPT2
SCHEMBL13858515 0.98 AKT1 (0.36) AKT1HPSEPOLBFASNCPT2
SCHEMBL13858147 0.98 AKT1 (0.36) AKT1HPSEPOLBFASNCPT2
SCHEMBL19326776 0.98 AKT1 (0.36) AKT1HPSEPOLBFASNCPT2
SCHEMBL13858507 0.98 AKT1 (0.36) AKT1HPSEPOLBFASNCPT2
SCHEMBL13858527 0.98 AKT1 (0.36) AKT1HPSEPOLBFASNCPT2
SCHEMBL18334882 0.82 IDUA (0.33)
SCHEMBL3804519 0.76 GAA (0.36)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017078137-A1 METHOD FOR PRODUCING ACYL GLUCURONIDE BY MICROBIAL TRANSFORMATION, AND MICROORGANISM HAVING SUCH TRANSFORMATION ACTIVITY 第一三共株式会社 2017-05-11 WO disclosed
WO-2007090081-A3 ANALYSIS OF MYCOPHENOLIC ACID IN SALIVA USING LIQUID CHROMATOGRAPHY TANDEM MASS SPECTROMETRY RHODE ISLAND EDUCATION (US) 2007-11-01 WO disclosed
WO-2007090081-A2 ANALYSIS OF MYCOPHENOLIC ACID IN SALIVA USING LIQUID CHROMATOGRAPHY TANDEM MASS SPECTROMETRY THE BOARD OF GOVERNORS FOR HIGHER EDUCATION STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS (US) 2007-08-09 WO disclosed