SCHEMBL8924940

SCHEMBL8924940

CCCCCCCCCCCCN(CCCCCCCCCCCC)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.43
LMNA P02545 4/20 0.41
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA9 Q16790 2/20 0.37
CA2 P00918 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
CYP2D6 P10635 2/20 0.35
KDM4E B2RXH2 2/20 0.35
SPHK1 Q9NYA1 1/20 0.35
GMNN O75496 1/20 0.35
POLB P06746 1/20 0.35
THPO P40225 1/20 0.35
MTOR P42345 1/20 0.35
BLM P54132 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CETP P11597 1/20 0.35

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
SCHEMBL8770831 0.90 PDE4A (0.36) PDE4ALMNACA12CA1CA9
SCHEMBL7749705 0.88 CA12 (0.40) LMNACA12CA1CA9CA2
SCHEMBL2422782 0.86 CA12 (0.41) CA12CA1CA9CA2ZDHHC20
SCHEMBL8939172 0.83 KDM4E (0.42) LMNAKDM4ECYP3A4MAPTTDP1
SCHEMBL28762352 0.82 CA1 (0.38) CA12CA1CA9CA2ZDHHC20
SCHEMBL15216630 0.81 CA12 (0.40) CA12CA1CA9CA2ZDHHC20
SCHEMBL31758899 0.81 EPHX2 (0.37) PDE4ALMNACYP2D6KDM4ESPHK1
SCHEMBL30723243 0.81 EPHX2 (0.37) PDE4ALMNACYP2D6KDM4ESPHK1
SCHEMBL30723269 0.81 EPHX2 (0.37) PDE4ALMNACYP2D6KDM4ESPHK1
SCHEMBL8225457 0.79 CA12 (0.36) PDE4ALMNACA12CA1CA9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9124570-A None JP disclosed
JP-H09124570-A GLUCOSIDE DERIVATIVE FOR ENZYME MODIFICATION, ORGANIC SOLVENT-SOLUBLE ENZYME MODIFIED WITH THE SAME AND ITS PRODUCTION NIPPON PAINT CO LTD 1997-05-13 JP disclosed