SCHEMBL25816579

SCHEMBL25816579

CCCC(=O)NCCOCCN(C)CCOCCNC(=O)CCC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.46
DNM1 Q05193 2/20 0.44
ACHE P22303 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CNR1 P21554 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
SCHEMBL25816572 0.86 MEN1 (0.47) DNM1ACHEMEN1KMT2A
SCHEMBL10048529 0.85 CASP2 (0.55) CASP2HPGDMEN1KMT2ATSHR
SCHEMBL12019333 0.83 CASP2 (0.53) CASP2HPGDMEN1KMT2ATSHR
SCHEMBL27142729 0.82 CASP2 (0.52) CASP2HPGDMEN1KMT2ATSHR
SCHEMBL13644566 0.82 CASP2 (0.52) CASP2HPGDMEN1KMT2ATSHR
SCHEMBL11915802 0.82 CASP2 (0.52) CASP2HPGDMEN1KMT2ATSHR
SCHEMBL25887649 0.82 CASP2 (0.52) CASP2HPGDMEN1KMT2ATSHR
SCHEMBL14153986 0.81 DNM1 (0.56) CASP2DNM1LMNAHPGDMEN1
SCHEMBL17887945 0.80 CASP2 (0.50) CASP2HPGDMEN1KMT2ATSHR
SCHEMBL25885419 0.80 CASP2 (0.50) CASP2HPGDMEN1KMT2ATSHR

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-2023125806-A1 CONJUGATE FOR PREVENTING AND TREATING VIRAL INFECTIONS AND USE THEREOF 苏州爱科百发生物医药技术有限公司 2023-07-06 WO disclosed