SCHEMBL7515836

SCHEMBL7515836

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

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
PTGER1 P34995 1/20 0.33
MARS1 P56192 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
NOTUM Q6P988 1/20 0.33
GCGR P47871 2/20 0.33
EEF2K O00418 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
CETP P11597 1/20 0.32
PPARD Q03181 1/20 0.32
KMO O15229 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
SCHEMBL7516740 0.86 NOTUM (0.35) PPARGMARS1KMT2AGAANOTUM
SCHEMBL7513619 0.85 PTGDR2 (0.38) PPARGPPARAMARS1KMT2AGAA
SCHEMBL7515846 0.84 UTS2R (0.37) MARS1KMT2AGAANOTUMCETP
SCHEMBL7508387 0.83 PTGER1 (0.40) PTGER1PTGDR2
SCHEMBL7506981 0.82 EEF2K (0.38) MARS1KMT2AGAANOTUMEEF2K
SCHEMBL7517203 0.81 GAA (0.39) PPARGPPARAPTGER1MARS1KMT2A
SCHEMBL7506972 0.80 CETP (0.38) MARS1KMT2AGAANOTUMEEF2K
SCHEMBL7513609 0.80 GAA (0.35) PPARGPPARAMARS1KMT2AGAA
SCHEMBL5752911 0.77 KMT2A (0.41) MARS1KMT2AGAANOTUMCETP
SCHEMBL29572389 0.77 KMT2A (0.41) MARS1KMT2AGAANOTUMCETP

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