SCHEMBL21944971

SCHEMBL21944971

CC(C)CCC1NC(=O)C1O

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAN2B1 O00754 1/20 0.32
DAO P14920 1/20 0.31
IDUA P35475 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
SCHEMBL17815474 0.85 MAN2B1 (0.31) MAN2B1
SCHEMBL5963636 0.79 CTSD (0.38) MAN2B1IDUA
SCHEMBL19727095 0.78 DAO (0.32) DAO
SCHEMBL5811056 0.72 GBA1 (0.44)
SCHEMBL21385937 0.72
SCHEMBL5083040 0.72
SCHEMBL4174353 0.72
SCHEMBL17815516 0.66 KDM4E (0.33)
SCHEMBL21322974 0.65 IRAK4 (0.30)
SCHEMBL29829226 0.65 ALDH1A1 (0.37)

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
EP-3150581-B1 PYRIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2020-04-15 EP disclosed