SCHEMBL7516740

SCHEMBL7516740

CN(C)C(C(=O)O)c1ccc(Cl)cc1Cn1nc(-c2ccc(C(F)(F)F)cc2)oc1=O

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.35
GAA P10253 1/20 0.35
MARS1 P56192 1/20 0.35
KMT2A Q03164 1/20 0.35
CETP P11597 1/20 0.34
PTGER4 P35408 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
LIPE Q05469 1/20 0.33
DRD1 P21728 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
EEF2K O00418 1/20 0.33
ABHD6 Q9BV23 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
PPARG P37231 1/20 0.32

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
SCHEMBL7515836 0.86 PPARG (0.33) NOTUMGAAMARS1KMT2ACETP
SCHEMBL7515846 0.86 UTS2R (0.37) NOTUMGAAMARS1KMT2ACETP
SCHEMBL7517203 0.86 GAA (0.39) NOTUMGAAMARS1KMT2ACETP
SCHEMBL7506972 0.85 CETP (0.38) NOTUMGAAMARS1KMT2ACETP
SCHEMBL7513609 0.85 GAA (0.35) NOTUMGAAMARS1KMT2ACETP
SCHEMBL7506981 0.83 EEF2K (0.38) NOTUMGAAMARS1KMT2ACETP
SCHEMBL7513619 0.83 PTGDR2 (0.38) NOTUMGAAMARS1KMT2ACETP
SCHEMBL5752911 0.80 KMT2A (0.41) NOTUMGAAMARS1KMT2ACETP
SCHEMBL29572389 0.80 KMT2A (0.41) NOTUMGAAMARS1KMT2ACETP
SCHEMBL7508387 0.78 PTGER1 (0.40) PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051173-A4 DERIVATIVES OF 1,3,4-OXADIAZOLONE BRISTOL MYERS SQUIBB CO (US) 2002-07-31 EP claimed
EP-1051173-A1 DERIVATIVES OF 1,3,4-OXADIAZOLONE Bristol-Myers Squibb Company (US) 2000-11-15 EP claimed
US-6034113-A ANTIISCHEMIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-03-07 US claimed
WO-1999038510-A1 DERIVATIVES OF 1,3,4-OXADIAZOLONE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-08-05 WO claimed
US-6034113-A ANTIISCHEMIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-03-07 US disclosed