SCHEMBL9768162

SCHEMBL9768162

CCCNCC(=O)c1ccc(O)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPG P10696 8/20 0.50
ALPL P05186 5/20 0.50
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA7 P43166 3/20 0.47
CA9 Q16790 3/20 0.47
CA14 Q9ULX7 3/20 0.47
XDH P47989 1/20 0.47
HDAC6 Q9UBN7 1/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
POLB P06746 2/20 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
PLAA Q9Y263 4/20 0.44
DBH P09172 1/20 0.43

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
SCHEMBL9768141 0.90 ALPL (0.48) ALPGALPLCA12CA1CA2
SCHEMBL9768043 0.89 TRPV1 (0.49) ALPGALPLCA12CA1CA2
SCHEMBL9768296 0.88 TRPV1 (0.51) ALPGALPLKDM4EPOLBMAPT
SCHEMBL9768034 0.88 TRPV1 (0.51) ALPGALPLKDM4EPOLBMAPT
SCHEMBL9768080 0.88 TRPV1 (0.51) ALPGALPLKDM4EPOLBMAPT
SCHEMBL9768159 0.88 TRPV1 (0.51) ALPGALPLKDM4EPOLBMAPT
SCHEMBL9768025 0.88 TRPV1 (0.51) ALPGALPLKDM4EPOLBMAPT
SCHEMBL9768279 0.88 TRPV1 (0.51) ALPGALPLKDM4EPOLBMAPT
SCHEMBL9767999 0.88 TRPV1 (0.51) ALPGALPLKDM4EPOLBMAPT
SCHEMBL9768069 0.88 TRPV1 (0.51) ALPGALPLKDM4EPOLBMAPT

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