SCHEMBL6201220

SCHEMBL6201220

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
TSHR P16473 2/20 0.51
HSD17B10 Q99714 1/20 0.51
RAB9A P51151 4/20 0.50
HPGD P15428 3/20 0.50
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 3/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
DAO P14920 1/20 0.48
USP2 O75604 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL6201226 1.00 GAA (0.54) GAATSHRHSD17B10RAB9AHPGD
SCHEMBL3858877 1.00 GAA (0.54) GAATSHRHSD17B10RAB9AHPGD
SCHEMBL3866711 1.00 GAA (0.54) GAATSHRHSD17B10RAB9AHPGD
SCHEMBL6201485 0.85 GAA (0.52) GAATSHRHSD17B10RAB9AHPGD
SCHEMBL6201483 0.85 GAA (0.52) GAATSHRHSD17B10RAB9AHPGD
SCHEMBL6201474 0.85 GAA (0.52) GAATSHRHSD17B10RAB9AHPGD
SCHEMBL16615455 0.83 GAA (0.53) GAATSHRHSD17B10RAB9AHPGD
SCHEMBL7825593 0.81 GAA (0.39) GAATSHRHSD17B10RAB9AHPGD
SCHEMBL7825597 0.81 GAA (0.39) GAATSHRHSD17B10RAB9AHPGD
SCHEMBL7005733 0.79 TSHR (0.57) GAATSHRHSD17B10RAB9AHPGD

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-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP disclosed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO disclosed