SCHEMBL30900511

SCHEMBL30900511

C=C=CC(=O)NCC1CCC(C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.42
PLAT P00750 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL25465261 0.81 PLG (0.46) PLGPLATLMNAKMT2ASMN1; SMN2
SCHEMBL16054840 0.77 LMNA (0.44) PLGPLATLMNAKMT2ASMN1; SMN2
SCHEMBL16054837 0.77 LMNA (0.44) PLGPLATLMNAKMT2ASMN1; SMN2
SCHEMBL16054838 0.77 LMNA (0.44) PLGPLATLMNAKMT2ASMN1; SMN2
SCHEMBL16054834 0.77 LMNA (0.44) PLGPLATLMNAKMT2ASMN1; SMN2
SCHEMBL30900512 0.76 KMT2A (0.32) KMT2ATDP1MEN1HDAC3HDAC4
SCHEMBL25181526 0.76 TDP1 (0.30) TDP1
SCHEMBL31571537 0.75 PLG (0.43) PLGPLATLMNAKMT2ASMN1; SMN2
SCHEMBL25339676 0.72 PLG (0.60) PLGPLATLMNAKMT2ASMN1; SMN2
SCHEMBL21174845 0.72 PLG (0.60) PLGPLATLMNAKMT2ASMN1; SMN2

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-2024102078-A1 HETEROBIFUNCTIONAL LINKERS AND BIOCONJUGATE MOLECULES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2024-05-16 WO disclosed