SCHEMBL20409249

SCHEMBL20409249

BNC(=O)CCCCCN(C(C)C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
DNM1 Q05193 3/20 0.35
HSP90AA1 P07900 1/20 0.34
THRB P10828 2/20 0.34
THRA P10827 1/20 0.34
KDM4C Q9H3R0 4/20 0.33
KDM4A O75164 3/20 0.33
PHF8 Q9UPP1 2/20 0.33
KDM2A Q9Y2K7 2/20 0.33
KDM5A P29375 1/20 0.32
KDM7A Q6ZMT4 1/20 0.32

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
SCHEMBL24445578 0.81 FAAH (0.40) FAAHMEN1KMT2AMAPK1HDAC3
SCHEMBL27793019 0.79 CTSD (0.43) FAAHMEN1KMT2AMAPK1HDAC3
SCHEMBL27932596 0.76 TSHR (0.52) MEN1KMT2A
SCHEMBL1147835 0.76 KMT2A (0.39) MEN1KMT2ATHRBTHRAKDM4C
SCHEMBL260594 0.75 THRA (0.36) FAAHMEN1KMT2AMAPK1THRB
SCHEMBL964734 0.73 CTSD (0.45) FAAHMEN1KMT2AMAPK1DNM1
SCHEMBL8504329 0.73 DNM1 (0.53) FAAHMEN1KMT2AMAPK1DNM1
Stearic Acid SCHEMBL20142532 0.70 GPR84 (0.63) MEN1KMT2A
Stearic Acid SCHEMBL20142462 0.70 GPR84 (0.63) MEN1KMT2A
Stearic Acid SCHEMBL20142896 0.70 GPR84 (0.63) MEN1KMT2A

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-2018136778-A1 TELODENDRIMERS WITH RIBOFLAVIN MOIETIES AND NANOCARRIERS AND METHODS OF MAKING AND USING SAME THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2018-07-26 WO disclosed