SCHEMBL21663249

SCHEMBL21663249

CCC(C)NCCC(=O)NCCO

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.44
ALDH1A1 P00352 5/20 0.44
NAAA Q02083 1/20 0.42
CNR2 P34972 4/20 0.41
FAAH O00519 2/20 0.41
MEN1 O00255 2/20 0.41
BLM P54132 2/20 0.41
KMT2A Q03164 2/20 0.41
TRPV1 Q8NER1 2/20 0.41
SELP P16109 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
KCNK3 O14649 1/20 0.41
HPGD P15428 2/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL3542942 0.79 LMNA (0.40) ALDH1A1MEN1KMT2ATDP1
SCHEMBL297268 0.77
SCHEMBL4578526 0.75 EPHX2 (0.53) ALDH1A1MEN1KMT2AMAPT
SCHEMBL23513804 0.74 KDM4E (0.41) ALDH1A1TDP1
SCHEMBL11165110 0.74 TSHR (0.44) ALDH1A1MEN1KMT2ATDP1
SCHEMBL605190 0.73
SCHEMBL18619439 0.73 ALDH1A1 (0.48) CNR1ALDH1A1NAAACNR2FAAH
SCHEMBL12642638 0.73 CASP2 (0.47) ALDH1A1NAAAFAAHMEN1KMT2A
Hydrochloric Acid SCHEMBL6415392 0.72 KDM4E (0.41) ALDH1A1MEN1KMT2ATDP1
SCHEMBL2320293 0.72 ALDH1A1 (0.57) CNR1ALDH1A1NAAACNR2FAAH

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
EP-3604533-A1 SITE-SPECIFIC DELIVERY OF NUCLEIC ACIDS BY COMBINING TARGETING LIGANDS WITH ENDOSOMOLYTIC COMPONENTS Arbutus Biopharma Corporation (CA) 2020-02-05 EP disclosed