SCHEMBL25075402

SCHEMBL25075402

COCCCCNCCCOC(C)C

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 6/20 0.40
TSHR P16473 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 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
SCHEMBL25566315 0.98 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KDM4ETSHRL3MBTL1
SCHEMBL25075483 0.96 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KDM4ETSHRL3MBTL1
SCHEMBL25565755 0.91 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TSHRL3MBTL1CYP1A2
SCHEMBL6552923 0.89 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2TSHRL3MBTL1CYP1A2
SCHEMBL25565761 0.87 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TSHRL3MBTL1MAPK1
SCHEMBL6178482 0.84 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2TSHRL3MBTL1GAA
SCHEMBL723666 0.82 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2TSHRL3MBTL1HTT
SCHEMBL12134032 0.82 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2TSHRL3MBTL1HTT
SCHEMBL25075398 0.82 KDM4E (0.46) ALDH1A1KDM4ETSHRCYP1A2CYP2D6
SCHEMBL25463224 0.81 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2TSHRCYP1A2CYP2C19

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-2023022926-A1 NANOPARTICLE COMPOSITIONS CONTAINING SUGAR FUNCTIONALIZED NUCLEIC ACID CARRIERS TIBA BIOTECH LLC (US) 2023-02-23 WO disclosed