SCHEMBL9768043

SCHEMBL9768043

CCCCCNCC(=O)c1ccc(O)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.49
ALPL P05186 2/20 0.47
ALPG P10696 2/20 0.47
APP P05067 1/20 0.47
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
XDH P47989 1/20 0.44
NAAA Q02083 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL9768279 0.98 TRPV1 (0.51) TRPV1ALPLALPGAPPHSD17B10
SCHEMBL9768069 0.98 TRPV1 (0.51) TRPV1ALPLALPGAPPHSD17B10
SCHEMBL9768080 0.98 TRPV1 (0.51) TRPV1ALPLALPGAPPHSD17B10
SCHEMBL9768025 0.98 TRPV1 (0.51) TRPV1ALPLALPGAPPHSD17B10
SCHEMBL9768034 0.98 TRPV1 (0.51) TRPV1ALPLALPGAPPHSD17B10
SCHEMBL9767999 0.98 TRPV1 (0.51) TRPV1ALPLALPGAPPHSD17B10
SCHEMBL9768296 0.98 TRPV1 (0.51) TRPV1ALPLALPGAPPHSD17B10
SCHEMBL9768159 0.98 TRPV1 (0.51) TRPV1ALPLALPGAPPHSD17B10
SCHEMBL9768141 0.95 ALPL (0.48) TRPV1ALPLALPGAPPCA12
SCHEMBL9768162 0.89 ALPG (0.50) ALPLALPGCA12CA1CA2

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