SCHEMBL9768141

SCHEMBL9768141

CCCCNCC(=O)c1ccc(O)c(O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 3/20 0.48
ALPG P10696 3/20 0.48
GAA P10253 3/20 0.47
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA7 P43166 3/20 0.45
CA9 Q16790 3/20 0.45
CA14 Q9ULX7 3/20 0.45
XDH P47989 1/20 0.45
TRPV1 Q8NER1 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.42
PLAA Q9Y263 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
APP P05067 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 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
SCHEMBL9768043 0.95 TRPV1 (0.49) ALPLALPGGAACA12CA1
SCHEMBL9768296 0.94 TRPV1 (0.51) ALPLALPGTRPV1HDAC1HDAC2
SCHEMBL9768025 0.94 TRPV1 (0.51) ALPLALPGTRPV1HDAC1HDAC2
SCHEMBL9768069 0.94 TRPV1 (0.51) ALPLALPGTRPV1HDAC1HDAC2
SCHEMBL9768080 0.94 TRPV1 (0.51) ALPLALPGTRPV1HDAC1HDAC2
SCHEMBL9768159 0.94 TRPV1 (0.51) ALPLALPGTRPV1HDAC1HDAC2
SCHEMBL9768279 0.94 TRPV1 (0.51) ALPLALPGTRPV1HDAC1HDAC2
SCHEMBL9767999 0.94 TRPV1 (0.51) ALPLALPGTRPV1HDAC1HDAC2
SCHEMBL9768034 0.94 TRPV1 (0.51) ALPLALPGTRPV1HDAC1HDAC2
SCHEMBL9768162 0.90 ALPG (0.50) ALPLALPGGAACA12CA1

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