SCHEMBL5586920

SCHEMBL5586920

C=COC(=O)CCC.C=COC(=O)CCC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
TSHR P16473 5/20 0.44
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HDAC3 O15379 4/20 0.38
HDAC1 Q13547 4/20 0.38
HDAC2 Q92769 4/20 0.38
HDAC8 Q9BY41 4/20 0.38
FFAR3 O14843 3/20 0.38
HPGD P15428 1/20 0.35
LMNA P02545 2/20 0.33
HDAC6 Q9UBN7 1/20 0.33
DGKA P23743 1/20 0.32
CTSD P07339 1/20 0.32
BCL9 O00512 1/20 0.32
CTNNB1 P35222 1/20 0.32
FAAH O00519 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
SCHEMBL23026 1.00
SCHEMBL28067284 0.98
Ethylene SCHEMBL625068 0.98 ALDH1A1 (0.50) ALDH1A1TSHRCES2CES1HDAC3
Propene SCHEMBL11850191 0.95 ALDH1A1 (0.48) ALDH1A1TSHRCES2CES1HDAC3
Alcohol SCHEMBL2592803 0.95 ALDH1A1 (0.48) ALDH1A1TSHRCES2CES1HDAC3
Water SCHEMBL28124940 0.95 ALDH1A1 (0.48) ALDH1A1TSHRCES2CES1HDAC3
Vinyl Chloride SCHEMBL8507464 0.93 ALDH1A1 (0.46) ALDH1A1TSHRCES2CES1HDAC3
Acetic Acid SCHEMBL8679016 0.93 ALDH1A1 (0.46) ALDH1A1TSHRCES2CES1HDAC3
SCHEMBL3103896 0.93 ALDH1A1 (0.52) ALDH1A1TSHRCES2CES1HDAC3
SCHEMBL10823225 0.93 ALDH1A1 (0.46) ALDH1A1TSHRCES2CES1HDAC3

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-2007002110-A2 BIFACIAL ELONAGATED SOLAR CELL DEVICES SOLYNDRA, INC. (US) 2007-01-04 WO claimed