SCHEMBL9768140

SCHEMBL9768140

CN(CC(=O)c1ccc(O)c(O)c1)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALPG P10696 10/20 0.43
▸ ALPL P05186 8/20 0.43
▸ PLAA Q9Y263 6/20 0.42
▸ CA12 O43570 3/20 0.42
▸ CA1 P00915 3/20 0.42
▸ CA2 P00918 3/20 0.42
▸ CA7 P43166 3/20 0.42
▸ CA9 Q16790 3/20 0.42
▸ CA14 Q9ULX7 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA6 P23280 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ DBH P09172 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ XDH P47989 1/20 0.41

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
SCHEMBL421462 0.80 KDM4E (0.53) ALPGALPLPLAACA12CA1
SCHEMBL30309743 0.80 KDM4E (0.53) ALPGALPLPLAACA12CA1
SCHEMBL6662611 0.77 CA12 (0.47) ALPGALPLPLAACA12CA1
SCHEMBL22763940 0.76 CA12 (0.46) ALPGALPLPLAACA12CA1
SCHEMBL21462661 0.76 CA12 (0.50) ALPGALPLPLAACA12CA1
SCHEMBL26491267 0.71 PLAA (0.41) ALPGALPLPLAACA12CA1
SCHEMBL11807876 0.71 NPC1 (0.44) POLBMAPTL3MBTL1MEN1KMT2A
SCHEMBL2991009 0.70 CA12 (0.58) ALPGALPLPLAACA12CA1
SCHEMBL30389755 0.70 CA12 (0.58) ALPGALPLPLAACA12CA1
SCHEMBL27907766 0.70 CA12 (0.58) ALPGALPLPLAACA12CA1

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
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