SCHEMBL28044131

SCHEMBL28044131

CCCCC(C)(O)C#CC(C)(O)CCC

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FDPS P14324 11/20 0.32
GGPS1 O95749 6/20 0.32
ALDH1A1 P00352 2/20 0.30
CES2 O00748 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL396486 0.95 FDPS (0.34) FDPSGGPS1ALDH1A1CES2ESR1
SCHEMBL394131 0.89 ALDH1A1 (0.37) FDPSALDH1A1
SCHEMBL28388451 0.89 ALDH1A1 (0.37) FDPSALDH1A1
SCHEMBL27218091 0.88 FDPS (0.31) FDPSGGPS1
SCHEMBL737213 0.87 FDPS (0.43) FDPSGGPS1CES2
SCHEMBL14278864 0.86 FDPS (0.30) FDPSGGPS1
SCHEMBL736677 0.85 FDPS (0.45) FDPSGGPS1CES2
SCHEMBL15364769 0.85 FDPS (0.45) FDPSGGPS1CES2
SCHEMBL737150 0.85 FDPS (0.45) FDPSGGPS1CES2
SCHEMBL11543703 0.83 FDPS (0.35) FDPSGGPS1

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
CN-105274543-A Alkaline wax remover HUIZHOU INOV SURFACE TREAT TECHNOLOGY CO LTD 2016-01-27 CN disclosed