SCHEMBL29048644

SCHEMBL29048644

CNC(=O)CCCCC(=O)OC(=O)CCCC(=O)OC(=O)CCCCC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
RECQL P46063 1/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.34
SMYD3 Q9H7B4 1/20 0.33
FAAH O00519 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
SOAT1 P35610 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC5 Q9UQL6 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
SCHEMBL6683840 0.85 LMNA (0.48) RECQLLMNAALDH1A1MEN1KMT2A
SCHEMBL487785 0.85 LMNA (0.48) TSHRLMNAMEN1KMT2AFAAH
SCHEMBL28107168 0.83 LMNA (0.46) RECQLLMNAALDH1A1MEN1KMT2A
SCHEMBL30415482 0.83 LMNA (0.46) RECQLLMNAALDH1A1MEN1KMT2A
SCHEMBL30416186 0.83 LMNA (0.46) RECQLLMNAALDH1A1MEN1KMT2A
SCHEMBL30416681 0.83 LMNA (0.46) RECQLLMNAALDH1A1MEN1KMT2A
SCHEMBL6682401 0.83 LMNA (0.46) RECQLLMNAALDH1A1MEN1KMT2A
SCHEMBL30068381 0.83 LMNA (0.46) RECQLLMNAALDH1A1MEN1KMT2A
SCHEMBL25372543 0.83 RECQL (0.37) TSHRRECQLLMNAALDH1A1GAA
SCHEMBL25373312 0.83 RECQL (0.37) TSHRRECQLLMNAALDH1A1GAA

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
CN-110446770-B Reversible thermochromic composition and reversible thermochromic microcapsule pigment containing the same 百乐墨水株式会社 2023-08-08 CN disclosed