SCHEMBL9768042

SCHEMBL9768042

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPG P10696 7/20 0.46
ALPL P05186 5/20 0.46
TOP1 P11387 1/20 0.45
HDAC6 Q9UBN7 1/20 0.43
PLAA Q9Y263 3/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
PTGS2 P35354 1/20 0.43
XDH P47989 2/20 0.42

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
SCHEMBL6046293 0.78 ALPG (0.52) ALPGALPLTOP1HDAC6PLAA
SCHEMBL8630005 0.78 CA12 (0.50) ALPGALPLTOP1HDAC6PLAA
SCHEMBL2296870 0.77 NPC1 (0.47) KDM4EGAAMAPTHPGDALDH1A1
SCHEMBL2298280 0.77 SMN1; SMN2 (0.50) HDAC6KDM4EPOLBGAAMAPT
SCHEMBL10584512 0.77 KDM4E (0.43) KDM4EPOLBMAPTHPGDALDH1A1
SCHEMBL2290467 0.77 GSK3B (0.48) KDM4EL3MBTL1POLBMAPTHPGD
SCHEMBL4413289 0.76 KDM4E (0.60) KDM4EL3MBTL1POLBMAPTHPGD
SCHEMBL9768162 0.75 ALPG (0.50) ALPGALPLTOP1HDAC6PLAA
SCHEMBL2296967 0.75 MEN1 (0.48) HDAC6KDM4EL3MBTL1MAPTHPGD
SCHEMBL9768145 0.74 ALPG (0.46) ALPGALPLTOP1HDAC6PLAA

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
US-5047592-A Selective hydrogenolysis process ETHYL CORPORATION (US) 1991-09-10 US disclosed
US-4147799-A Process for reducing blood pressure and blocking β-adrenergic receptor KYOWA HAKKO KOGYO CO., LTD. (JP) 1979-04-03 US disclosed