SCHEMBL7513619

SCHEMBL7513619

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

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.38
EEF2K O00418 1/20 0.36
GAA P10253 1/20 0.35
CTSA P10619 1/20 0.33
MARS1 P56192 1/20 0.33
KMT2A Q03164 1/20 0.33
NOTUM Q6P988 1/20 0.33
CETP P11597 1/20 0.32
CTSS P25774 1/20 0.32
PPARD Q03181 1/20 0.32
AKR1B1 P15121 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 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
SCHEMBL7506981 0.85 EEF2K (0.38) PTGDR2EEF2KGAACTSAMARS1
SCHEMBL7515836 0.85 PPARG (0.33) PTGDR2EEF2KGAAMARS1KMT2A
SCHEMBL7513609 0.84 GAA (0.35) PTGDR2GAAMARS1KMT2ANOTUM
SCHEMBL7516740 0.83 NOTUM (0.35) PTGDR2EEF2KGAAMARS1KMT2A
Hydrochloric Acid SCHEMBL7511590 0.83 PPARD (0.39) PTGDR2CTSAPPARD
SCHEMBL7517203 0.81 GAA (0.39) EEF2KGAAMARS1KMT2ANOTUM
SCHEMBL7506972 0.80 CETP (0.38) PTGDR2EEF2KGAAMARS1KMT2A
SCHEMBL7515846 0.80 UTS2R (0.37) GAAMARS1KMT2ANOTUMCETP
SCHEMBL5752911 0.77 KMT2A (0.41) GAAMARS1KMT2ANOTUMCETP
SCHEMBL29572389 0.77 KMT2A (0.41) GAAMARS1KMT2ANOTUMCETP

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 4 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