SCHEMBL20779255

SCHEMBL20779255

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

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.38
CA2 P00918 6/20 0.35
MAPK1 P28482 1/20 0.35
CA1 P00915 4/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
SPHK1 Q9NYA1 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
SCHEMBL7625252 0.81 ALDH1A1 (0.47) FDPSCA2MAPK1CA1ALDH1A1
SCHEMBL10242782 0.74 FDPS (0.45) FDPSCA2MAPK1CA1ALDH1A1
SCHEMBL4892126 0.74 TSHR (0.35) FDPSTSHR
SCHEMBL20779323 0.73 FDPS (0.38) FDPSCA2MAPK1CA1ALDH1A1
SCHEMBL20779478 0.72 TSHR (0.41) FDPSCA2MAPK1CA1ALDH1A1
SCHEMBL28367268 0.72 FDPS (0.47) FDPSCA2MAPK1CA1ALDH1A1
SCHEMBL11496837 0.71 CA2 (0.42) FDPSCA2MAPK1CA1ALDH1A1
SCHEMBL4887788 0.71 FDPS (0.39) FDPSCA2MAPK1CA1ALDH1A1
SCHEMBL20779256 0.70 FDPS (0.36) FDPSCA2MAPK1CA1ALDH1A1
SCHEMBL27803984 0.70 ALDH1A1 (0.34) FDPSCA2MAPK1CA1ALDH1A1

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