SCHEMBL23898968

SCHEMBL23898968

NCCCNC(=O)CCOCC(COCCC(=O)NCCCN)(COCCC(=O)NCCCN)NC(=O)CCCCCCCCCCC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CD40 P25942 1/20 0.46
SLC6A5 Q9Y345 2/20 0.39
TSHR P16473 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
FAAH O00519 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4A O75164 1/20 0.32
HIF1A Q16665 1/20 0.32
TET2 Q6N021 1/20 0.32
DOHH Q9BU89 1/20 0.32
DNM1 Q05193 1/20 0.32
PAOX Q6QHF9 1/20 0.32
TLR2 O60603 1/20 0.32
GAA P10253 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
SCHEMBL24872398 0.93 CD40 (0.43) CD40SLC6A5TSHRHDAC6FAAH
SCHEMBL25826797 0.91 CD40 (0.40) CD40SLC6A5TSHRHDAC6
SCHEMBL23602769 0.90 CD40 (0.43) CD40SLC6A5TSHRFAAHCNR1
SCHEMBL20099258 0.90 SLC6A5 (0.52) SLC6A5FAAHCNR1CNR2DNM1
SCHEMBL15592334 0.89 RECQL (0.41) CD40SLC6A5TSHRHDAC6FAAH
SCHEMBL16217944 0.88 SLC6A5 (0.44) CD40SLC6A5TSHRHDAC6
SCHEMBL16392583 0.87 SLC6A5 (0.41) CD40SLC6A5FAAHCNR1CNR2
SCHEMBL20723688 0.87 CD40 (0.39) CD40SLC6A5TSHRHDAC6
SCHEMBL24896051 0.87 SLC6A5 (0.38) CD40SLC6A5TSHRHDAC6FAAH
SCHEMBL25797402 0.86 SLC6A5 (0.43) CD40SLC6A5HDAC6

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-2021202511-A2 MICROTUBULE ASSOCIATED PROTEIN TAU (MAPT) iRNA AGENT COMPOSITIONS AND METHODS OF USE THEREOF ALNYLAM PHARMACEUTICALS, INC. (US) 2021-10-07 WO disclosed