SCHEMBL28044706

SCHEMBL28044706

CCC=CC(=O)NCCCO

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
CNR1 P21554 5/20 0.41
CNR2 P34972 1/20 0.41
ZDHHC20 Q5W0Z9 3/20 0.40
ZDHHC2 Q9UIJ5 2/20 0.40
EGFR P00533 1/20 0.38
PTGS1 P23219 1/20 0.37
KCNH2 Q12809 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
NAAA Q02083 1/20 0.36

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
SCHEMBL22109092 0.88 CNR1 (0.49) ALDH1A1CNR1CNR2KMT2AMAPT
SCHEMBL14813333 0.88 CNR1 (0.49) ALDH1A1CNR1CNR2KMT2AMAPT
SCHEMBL19261723 0.86 ZDHHC20 (0.50) ALDH1A1CNR1CNR2ZDHHC20ZDHHC2
SCHEMBL9111857 0.86 ZDHHC20 (0.50) ALDH1A1CNR1CNR2ZDHHC20ZDHHC2
SCHEMBL28083743 0.84 ZDHHC20 (0.58) ZDHHC20ZDHHC2EGFR
SCHEMBL26598583 0.82 ZDHHC20 (0.61) ZDHHC20ZDHHC2EGFRNAAA
SCHEMBL11296642 0.81 ALDH1A1 (0.45) ALDH1A1CNR1CNR2ZDHHC20ZDHHC2
SCHEMBL28735534 0.81 PAOX (0.50) ALDH1A1ZDHHC20ZDHHC2EGFRKMT2A
SCHEMBL20582243 0.79 ACHE (0.39) ALDH1A1CNR1CNR2ZDHHC20ZDHHC2
SCHEMBL14813331 0.79 ALDH1A1 (0.37) ALDH1A1CNR1CNR2ZDHHC20ZDHHC2

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-102893427-B Separator and electrochemical device comprising same LG CHEM, LTD. (KR) 2016-01-06 CN claimed