SCHEMBL28340337

SCHEMBL28340337

CCCCC/C=C(/C=C/C(=O)OC(C)OC)CCC(=O)NC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
POLA1 P09884 1/20 0.33
ALOX5 P09917 1/20 0.32
OXER1 Q8TDS5 1/20 0.32
CNR1 P21554 1/20 0.31
FAAH O00519 2/20 0.31
ASAH2 Q9NR71 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KCNK3 O14649 1/20 0.31
THRB P10828 1/20 0.31
CNR2 P34972 1/20 0.31
BLM P54132 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SLC6A5 Q9Y345 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
SCHEMBL28810987 0.80 ATM (0.42) POLBPOLA1ALOX5OXER1CNR1
SCHEMBL28340556 0.79 POLB (0.35) ALDH1A1TP53POLBPOLA1CNR1
SCHEMBL28340332 0.78 EP300 (0.41) POLBFAAHBLM
SCHEMBL28340316 0.77 POLB (0.39) POLBPOLA1ALOX5OXER1CNR1
SCHEMBL28342840 0.75 ZDHHC2 (0.52) POLBCNR1FAAHSMN1; SMN2CNR2
SCHEMBL10886506 0.73 PPARG (0.41) ALDH1A1CNR1FAAHCNR2
SCHEMBL10886500 0.73 PPARG (0.41) ALDH1A1CNR1FAAHCNR2
SCHEMBL28340295 0.68 HRH3 (0.39) ALDH1A1TP53POLBPOLA1CNR1
SCHEMBL10889820 0.68 PPARG (0.40) ALDH1A1CNR1FAAHCNR2
SCHEMBL10889827 0.68 PPARG (0.40) ALDH1A1CNR1FAAHCNR2

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
CN-110642737-B Preparation method of amide-substituted (E, E) -configuration branched conjugated diene derivative 杭州师范大学 2022-08-05 CN disclosed
CN-110642737-A Amide-substituted (E, E) -configuration branched conjugated diene derivative and preparation method thereof 杭州师范大学 2020-01-03 CN disclosed