SCHEMBL20779254

SCHEMBL20779254

CCCCC(C(C)C)C(C)(O)C(O)C(C)O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.32
CA2 P00918 2/20 0.31
MAPK1 P28482 1/20 0.31
CTSK P43235 1/20 0.31
FDPS P14324 1/20 0.31
CA1 P00915 1/20 0.31
SPHK1 Q9NYA1 1/20 0.31
SLC15A1 P46059 1/20 0.30

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
SCHEMBL20779306 0.79 ALDH1A1 (0.36) DNM1CA2MAPK1CTSKFDPS
SCHEMBL14567279 0.77 CA2 (0.37) DNM1CA2MAPK1FDPSCA1
SCHEMBL29088230 0.74 DNM1 (0.38) DNM1CA2MAPK1FDPSCA1
SCHEMBL20779267 0.70 MAPT (0.35) MAPK1CTSK
SCHEMBL20779323 0.69 FDPS (0.38) CA2MAPK1CTSKFDPSCA1
SCHEMBL20779256 0.67 FDPS (0.36) CA2MAPK1FDPSCA1
SCHEMBL20779453 0.67 CA2 (0.37) CA2MAPK1CTSKFDPSCA1
Ammonia Solution, Strong SCHEMBL20450628 0.67 FDPS (0.32) FDPSSPHK1
SCHEMBL23901850 0.66 DNM1 (0.35) DNM1CA2CTSKFDPSCA1
SCHEMBL21431099 0.66 DNM1 (0.35) DNM1CA2CTSKFDPSCA1

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-2019046271-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2019-03-07 WO disclosed