SCHEMBL21787658

SCHEMBL21787658

O=C1OCC[C@@H]1NC(O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL7288696 0.78 MEN1 (0.52) MEN1CYP1A2KMT2A
SCHEMBL7296477 0.75 ACE (0.50) MEN1CYP1A2KMT2A
SCHEMBL3169636 0.75 MEN1 (0.63) MEN1CYP1A2KMT2A
SCHEMBL7511180 0.75 MEN1 (0.63) MEN1CYP1A2KMT2A
SCHEMBL6060180 0.75 MEN1 (0.63) MEN1CYP1A2KMT2A
SCHEMBL2532757 0.72 MEN1 (0.46) MEN1CYP1A2KMT2A
SCHEMBL4841239 0.72 MEN1 (0.46) MEN1CYP1A2KMT2A
SCHEMBL4833311 0.72 MEN1 (0.46) MEN1CYP1A2KMT2A
SCHEMBL6480813 0.72 MEN1 (0.46) MEN1CYP1A2KMT2A
SCHEMBL4833417 0.72 MEN1 (0.46) MEN1CYP1A2KMT2A

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-2020046403-A1 NOVEL PROCESS FOR THE PREPARATION OF ENANTIOPURE 3- ENANTIOPURE 3-AMINO TETRAHYDROFURAN AND ITS SALTS MAJEED MUHAMMED (US) 2020-03-05 WO disclosed