SCHEMBL25529335

SCHEMBL25529335

CCN(CC)CCOCCOCCNC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
CHRM2 P08172 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
IDO1 P14902 1/20 0.39
BCHE P06276 1/20 0.38
CNR2 P34972 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
ADRB2 P07550 1/20 0.38
HTR1A P08908 1/20 0.38
EPHX1 P07099 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL31421366 0.98 TDP1 (0.45) TDP1CHRM2MEN1KMT2AGAA
SCHEMBL1638642 0.88 CA12 (0.44) TDP1CHRM2MEN1KMT2AGAA
SCHEMBL25064749 0.87 TDP1 (0.43) TDP1MEN1KMT2AGAACA12
SCHEMBL24297332 0.85 BLM (0.57) TDP1MEN1KMT2AGAACA12
SCHEMBL23199547 0.85 BLM (0.57) TDP1MEN1KMT2AGAACA12
SCHEMBL15739514 0.85 TDP1 (0.42) TDP1MEN1KMT2AGAACA12
SCHEMBL12885084 0.85 TDP1 (0.56) TDP1MEN1KMT2AGAACA12
SCHEMBL22276648 0.85 TDP1 (0.56) TDP1MEN1KMT2AGAACA12
SCHEMBL22276641 0.85 TDP1 (0.56) TDP1MEN1KMT2AGAACA12
SCHEMBL23606520 0.85 TDP1 (0.46) TDP1MEN1KMT2AGAACA12

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-2023091490-A1 NOVEL IONIZABLE LIPIDS AND LIPID NANOPARTICLES AND METHODS OF USING THE SAME SENDA BIOSCIENCES, INC. (US) 2023-05-25 WO disclosed