SCHEMBL22032663

SCHEMBL22032663

O=C(O)N1CC=C[C@@H](O)C1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TFPI2 P48307 1/20 0.32
ACE P12821 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
SCHEMBL1220092 1.00 TFPI2 (0.32) TFPI2ACE
SCHEMBL22032719 1.00 TFPI2 (0.32) TFPI2ACE
SCHEMBL504856 0.78 TFPI2 (0.30) TFPI2
SCHEMBL28995477 0.78 TFPI2 (0.30) TFPI2
SCHEMBL25405567 0.78 CHRNB2 (0.30)
SCHEMBL12883945 0.75 GAA (0.40)
SCHEMBL19582825 0.74 TFPI2 (0.33) TFPI2
SCHEMBL1486976 0.74 PREP (0.43)
SCHEMBL30009419 0.74 ACE (0.33) ACE
SCHEMBL19459143 0.72 PREP (0.33)

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-2020117942-A1 CHOLINE METABOLISM INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-06-11 WO disclosed