SCHEMBL29329063

SCHEMBL29329063

CC(C)C(=O)CCNC(=O)CC(=O)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
ECE1 P42892 4/20 0.39
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CASP2 P42575 1/20 0.33
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
NAAA Q02083 1/20 0.31
LMNA P02545 2/20 0.31
PKM P14618 1/20 0.31
FAAH O00519 2/20 0.31
NAMPT P43490 1/20 0.30
MAPT P10636 1/20 0.30
PTGS2 P35354 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL29329056 0.85 ECE1 (0.39) ALDH1A1ECE1MEN1KMT2ACASP2
SCHEMBL19199459 0.84 MEN1 (0.54) ALDH1A1MEN1KMT2ACASP2NAAA
SCHEMBL24398829 0.84 ALDH1A1 (0.38) ALDH1A1ECE1MEN1KMT2ALMNA
SCHEMBL29329050 0.84 MEN1 (0.40) ALDH1A1ECE1MEN1KMT2ATSHR
SCHEMBL18866882 0.83 CASP2 (0.53) ALDH1A1CASP2SMN1; SMN2NAAAFAAH
SCHEMBL16248535 0.81 ALDH1A1 (0.53) ALDH1A1CASP2TSHRLMNAPKM
SCHEMBL20223530 0.81 KMT2A (0.46) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL18134694 0.80 LMNA (0.44) ALDH1A1KMT2ASMN1; SMN2LMNAPKM
SCHEMBL25443782 0.79 ALDH1A1 (0.38) ALDH1A1ECE1MEN1KMT2ALMNA
SCHEMBL25173385 0.79 CYP2D6 (0.46) ALDH1A1ECE1KMT2ATSHRLMNA

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-12043833-B2 Targeted compositions ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-23 US disclosed