SCHEMBL10886331

SCHEMBL10886331

CC(C)(C)OC(=O)[N]C(=O)[C@@H](N)Cc1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.51
PNMT P11086 1/20 0.49
CTSL P07711 1/20 0.47
RIPK1 Q13546 1/20 0.41
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
NOS2 P35228 2/20 0.40
HDAC8 Q9BY41 1/20 0.40
KIF11 P52732 1/20 0.40
PKM P14618 1/20 0.40
MAOA P21397 3/20 0.40
MAOB P27338 3/20 0.40
HCAR2 Q8TDS4 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
AKT3 Q9Y243 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL10884693 0.86 CYP3A4 (0.46) SLC7A5PPARGPPARA
SCHEMBL10886030 0.85 SLC7A5 (0.50) SLC7A5CTSLHDAC8PKM
SCHEMBL10560530 0.84 SLC7A5 (0.55) SLC7A5PNMTCTSLRIPK1NOS3
SCHEMBL17978075 0.84 SLC7A5 (0.55) SLC7A5PNMTCTSLRIPK1NOS3
SCHEMBL10884035 0.82 NOS3 (0.48) SLC7A5CTSLNOS3NOS1NOS2
SCHEMBL10889103 0.80 HCAR2 (0.49) SLC7A5PNMTNOS3NOS1NOS2
SCHEMBL10884376 0.79 PPARG (0.38) SLC7A5NOS3NOS1NOS2HDAC8
SCHEMBL10885413 0.78 CTSS (0.43) SLC7A5RIPK1
SCHEMBL10883352 0.78 ITGA4 (0.44)
SCHEMBL10889637 0.77 LDHA (0.47) SLC7A5PPARGPPARA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0071926-B1 NEW RIBOFURANURONIC ACID DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-08 EP claimed
EP-0071926-A1 New ribofuranuronic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-02-16 EP claimed
US-4479942-A Tetrahydrofurnancarboxylic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-30 US disclosed