SCHEMBL20522656

SCHEMBL20522656

CCCC(=CC=O)CCC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
LMNA P02545 1/20 0.37
SLC15A2 Q16348 1/20 0.37
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
HDAC3 O15379 4/20 0.33
HDAC1 Q13547 4/20 0.33
HDAC2 Q92769 4/20 0.33
HDAC8 Q9BY41 4/20 0.33
FFAR3 O14843 3/20 0.33
ACHE P22303 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TRPA1 O75762 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL20942916 0.86 CES2 (0.38) ALDH1A1CES2CES1HDAC3HDAC1
SCHEMBL3915869 0.77 CES1 (0.40) ALDH1A1CES2CES1TSHRTRPA1
SCHEMBL3915868 0.77 CES1 (0.40) ALDH1A1CES2CES1TSHRTRPA1
SCHEMBL20942865 0.77
SCHEMBL19976119 0.77
SCHEMBL8603322 0.75 ALDH1A1 (0.59) ALDH1A1LMNATSHR
SCHEMBL8603320 0.75 ALDH1A1 (0.59) ALDH1A1LMNATSHR
SCHEMBL28285005 0.72 ALDH1A1 (0.54) ALDH1A1LMNASLC15A2ACHETDP1
SCHEMBL20942862 0.72 CES1 (0.43) ALDH1A1CES2CES1TSHRTDP1
Acetaldehyde SCHEMBL3131789 0.71

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3600271-A1 METHODS AND COMPOSITIONS FOR ENHANCING HEALTH Ojai Energetics PBC (US) 2020-02-05 EP claimed
WO-2018183115-A1 METHODS AND COMPOSITIONS FOR ENHANCING HEALTH OJAI ENERGETICS PBC (US) 2018-10-04 WO claimed