SCHEMBL30162879

SCHEMBL30162879

O=C(NCCO)c1cnn(CC=CCO)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
LMNA P02545 2/20 0.38
FYN P06241 3/20 0.37
NTRK2 Q16620 1/20 0.37
KLKB1 P03952 4/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 1/20 0.34
CYP2C19 P33261 1/20 0.34
GFER P55789 1/20 0.34
MMP13 P45452 1/20 0.34

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
SCHEMBL24842797 1.00 HPGD (0.38) HPGDLMNAFYNNTRK2KLKB1
SCHEMBL24842796 0.84 LMNA (0.36) HPGDLMNAKLKB1KDM4EALDH1A1
SCHEMBL24842773 0.78 L3MBTL1 (0.38) LMNAKLKB1KDM4EALDH1A1NPSR1
SCHEMBL24842778 0.77 ALDH1A1 (0.39) HPGDLMNAHTTKDM4EALDH1A1
SCHEMBL30163007 0.76 NTRK2 (0.43) HPGDLMNAFYNNTRK2KLKB1
SCHEMBL30163098 0.73 HDAC1 (0.44) HPGDPOLBHTTALDH1A1MAPT
SCHEMBL24842038 0.73 HDAC1 (0.44) HPGDPOLBHTTALDH1A1MAPT
SCHEMBL24841257 0.72 KLKB1 (0.34) HPGDLMNAKLKB1POLBHTT
SCHEMBL24842799 0.70 SMYD3 (0.38) HPGDLMNAKLKB1POLBHTT
SCHEMBL30162836 0.70 SMYD3 (0.38) HPGDLMNAKLKB1POLBHTT

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-2023277517-A1 ACYCLIC NUCLEIC ACID MIMIC COMPRISING PENTACYCLIC BASE 동아대학교 산학협력단 2023-01-05 WO disclosed