SCHEMBL7260771

SCHEMBL7260771

CCOC(=O)c1cccc(C[C@@H](C)N)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.61
CYP4A11 Q02928 1/20 0.61
SLC7A5 Q01650 3/20 0.56
MEP1B Q16820 1/20 0.53
CA2 P00918 1/20 0.53
NPSR1 Q6W5P4 1/20 0.52
ACACB O00763 1/20 0.49
MAPT P10636 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
LOXL2 Q9Y4K0 1/20 0.49
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL1788115 0.89 CYP4F2 (0.62) CYP4F2CYP4A11SLC7A5MEP1BCA2
SCHEMBL27827188 0.88 CYP4F2 (0.58) CYP4F2CYP4A11SLC7A5MEP1BCA2
SCHEMBL3156861 0.87 SLC7A5 (0.75) CYP4F2CYP4A11SLC7A5MEP1BCA2
SCHEMBL3626627 0.85 SLC6A2 (0.61) SLC7A5MAPTNPC1RAB9AALDH1A1
SCHEMBL27781443 0.85 CYP4F2 (0.61) CYP4F2CYP4A11SLC7A5MEP1BCA2
SCHEMBL28281252 0.84 SLC7A5 (0.76) CYP4F2CYP4A11SLC7A5MAPTRAB9A
SCHEMBL13589439 0.84 SLC7A5 (0.76) CYP4F2CYP4A11SLC7A5MAPTRAB9A
SCHEMBL15609287 0.84 SLC7A5 (0.76) CYP4F2CYP4A11SLC7A5MAPTRAB9A
SCHEMBL129801 0.84 CYP4F2 (0.71) CYP4F2CYP4A11MEP1BCA2MAPT
Hydrochloric Acid SCHEMBL7735284 0.83 SLC7A5 (0.74) CYP4F2CYP4A11SLC7A5MAPTRAB9A

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
EP-1132395-B1 Process for the preparation of a pharmacologically active peptide PTC PHARMA AG (CH) 2003-10-29 EP disclosed