SCHEMBL25826797

SCHEMBL25826797

NCCCNC(=O)CCOCC(COCCC(=O)NCCCN)(COCCC(=O)NCCCN)NC(=O)CCCCCCCCCCC(=O)NO

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CD40 P25942 1/20 0.40
HDAC8 Q9BY41 12/20 0.39
HDAC6 Q9UBN7 12/20 0.39
HDAC3 O15379 11/20 0.39
HDAC1 Q13547 11/20 0.39
HDAC2 Q92769 11/20 0.39
HDAC5 Q9UQL6 10/20 0.39
SLC6A5 Q9Y345 2/20 0.39
HDAC10 Q969S8 10/20 0.37
HDAC11 Q96DB2 10/20 0.37
NCOR2 Q9Y618 1/20 0.37
HDAC4 P56524 9/20 0.36
HDAC7 Q8WUI4 9/20 0.36
HDAC9 Q9UKV0 9/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL23898968 0.91 CD40 (0.46) CD40HDAC6SLC6A5TSHR
SCHEMBL20099258 0.89 SLC6A5 (0.52) SLC6A5
SCHEMBL15592334 0.88 RECQL (0.41) CD40HDAC6SLC6A5TSHR
SCHEMBL16217944 0.86 SLC6A5 (0.44) CD40HDAC6SLC6A5TSHR
SCHEMBL20723688 0.86 CD40 (0.39) CD40HDAC8HDAC6HDAC3HDAC1
SCHEMBL24896051 0.85 SLC6A5 (0.38) CD40HDAC6SLC6A5TSHR
SCHEMBL24872398 0.84 CD40 (0.43) CD40HDAC6SLC6A5TSHR
SCHEMBL25797402 0.84 SLC6A5 (0.43) CD40HDAC6SLC6A5
SCHEMBL20099280 0.83 SLC6A5 (0.47) SLC6A5
SCHEMBL15592308 0.83 SLC6A5 (0.42) CD40SLC6A5TSHR

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
US-20230220384-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS OF USE THEREOF WAVE LIFE SCIENCES LTD. (SG) 2023-07-13 US disclosed