SCHEMBL6201485

SCHEMBL6201485

NC(=O)[C@@H]1CCCC[C@@H]1C(=O)c1cccs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.52
HSD17B10 Q99714 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TSHR P16473 2/20 0.50
RAB9A P51151 5/20 0.49
HPGD P15428 3/20 0.49
ALDH1A1 P00352 3/20 0.49
NPC1 O15118 3/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
DAO P14920 1/20 0.43
MAPT P10636 1/20 0.43
RGS12 O14924 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
SCHEMBL6201474 1.00 GAA (0.52) GAAHSD17B10SMN1; SMN2TSHRRAB9A
SCHEMBL6201483 1.00 GAA (0.52) GAAHSD17B10SMN1; SMN2TSHRRAB9A
SCHEMBL6201220 0.85 GAA (0.54) GAAHSD17B10SMN1; SMN2TSHRRAB9A
SCHEMBL3858877 0.85 GAA (0.54) GAAHSD17B10SMN1; SMN2TSHRRAB9A
SCHEMBL6201226 0.85 GAA (0.54) GAAHSD17B10SMN1; SMN2TSHRRAB9A
SCHEMBL3866711 0.85 GAA (0.54) GAAHSD17B10SMN1; SMN2TSHRRAB9A
SCHEMBL7005733 0.78 TSHR (0.57) GAAHSD17B10SMN1; SMN2TSHRRAB9A
SCHEMBL14398956 0.77 HSD17B10 (0.47) GAAHSD17B10SMN1; SMN2TSHRRAB9A
SCHEMBL5046057 0.76 RAB9A (0.58) GAAHSD17B10SMN1; SMN2TSHRRAB9A
SCHEMBL9777027 0.76 RAB9A (0.58) GAAHSD17B10SMN1; SMN2TSHRRAB9A

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-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed