SCHEMBL9768253

SCHEMBL9768253

CCNC(C)C(=O)c1ccc(O)c(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
GAA P10253 2/20 0.61
DBH P09172 1/20 0.61
RECQL P46063 1/20 0.61
CA12 O43570 4/20 0.47
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA7 P43166 4/20 0.47
CA9 Q16790 4/20 0.47
CA14 Q9ULX7 4/20 0.47
XDH P47989 1/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A3 Q01959 2/20 0.47
HDAC6 Q9UBN7 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
PTGS2 P35354 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
Phenisonone SCHEMBL2107796 0.79 KDM4E (0.65) KDM4EGAADBHRECQLCA12
Phenisonone SCHEMBL11289981 0.78 KDM4E (0.62) KDM4EGAADBHRECQLCA12
SCHEMBL4394358 0.78 KDM4E (0.57) KDM4EGAADBHRECQLCA12
SCHEMBL9407168 0.77 KDM4E (0.67) KDM4EGAADBHRECQLCA12
SCHEMBL9407166 0.77 KDM4E (0.67) KDM4EGAADBHRECQLCA12
SCHEMBL20472234 0.77 MEN1 (0.44) GAASLC6A2SLC6A3HDAC6SLC6A4
SCHEMBL16370776 0.77 MEN1 (0.44) GAASLC6A2SLC6A3HDAC6SLC6A4
SCHEMBL28356011 0.77 ALDH1A1 (0.47) KDM4EGAACA12CA1CA2
SCHEMBL8471397 0.76 KDM4E (1.00) KDM4EGAADBHRECQLCA12
SCHEMBL11691263 0.76 NPC1 (0.48) KDM4EGAADBHRECQLSLC6A2

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-5047592-A Selective hydrogenolysis process ETHYL CORPORATION (US) 1991-09-10 US disclosed