SCHEMBL9549571

SCHEMBL9549571

C=CC(=O)N(CCC)C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 2/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
TOP1 P11387 1/20 0.36
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDE4A P27815 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
USP2 O75604 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
KDM4E B2RXH2 2/20 0.31

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
SCHEMBL9146704 0.91 ZDHHC20 (0.44) ZDHHC20ZDHHC2TOP1LMNAL3MBTL1
SCHEMBL9243605 0.91 ZDHHC20 (0.44) ZDHHC20ZDHHC2TOP1LMNAL3MBTL1
SCHEMBL9143341 0.88 ZDHHC20 (0.52) ZDHHC20ZDHHC2TOP1LMNACA12
SCHEMBL9144568 0.88 ZDHHC20 (0.52) ZDHHC20ZDHHC2TOP1LMNACA12
SCHEMBL806321 0.88 ZDHHC20 (0.52) ZDHHC20ZDHHC2TOP1LMNACA12
SCHEMBL9147045 0.87 TOP1 (0.37) ZDHHC20ZDHHC2TOP1LMNAL3MBTL1
SCHEMBL9549578 0.87 LMNA (0.37) TOP1LMNAL3MBTL1PDE4ATDP1
SCHEMBL9144979 0.87 LMNA (0.37) TOP1LMNAL3MBTL1PDE4ATDP1
SCHEMBL12254042 0.82 ZDHHC20 (0.40) ZDHHC20ZDHHC2TSHRMAPK1CA12
SCHEMBL3208029 0.80 ZDHHC20 (0.42) ZDHHC20ZDHHC2TSHRMAPK1CA12

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-5185466-A Hydrophilic and amphiphatic monomers, their polymers and gels and hydrophobic electrophoresis KOZULIC BRANKO (CH) 1993-02-09 US disclosed