SCHEMBL7513609

SCHEMBL7513609

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
CETP P11597 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
PTGER4 P35408 1/20 0.33
MARS1 P56192 1/20 0.33
KMT2A Q03164 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
NOTUM Q6P988 1/20 0.33
PARP3 Q9Y6F1 1/20 0.33
P2RY14 Q15391 1/20 0.32
PPARG P37231 3/20 0.32
PPARD Q03181 3/20 0.32
PPARA Q07869 3/20 0.32
DDR1 Q08345 1/20 0.32
CYP2C9 P11712 2/20 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
SCHEMBL7506972 0.87 CETP (0.38) GAACETPPTGDR2PTGER4MARS1
SCHEMBL7515846 0.87 UTS2R (0.37) GAACETPMARS1KMT2APSEN1
SCHEMBL7516740 0.85 NOTUM (0.35) GAACETPPTGDR2PTGER4MARS1
SCHEMBL7513619 0.84 PTGDR2 (0.38) GAACETPPTGDR2MARS1KMT2A
SCHEMBL7517203 0.83 GAA (0.39) GAACETPPTGER4MARS1KMT2A
Hydrochloric Acid SCHEMBL7511581 0.83 PTGER1 (0.38) PPARGPPARDPPARA
SCHEMBL7506981 0.80 EEF2K (0.38) GAACETPPTGDR2PTGER4MARS1
SCHEMBL7515836 0.80 PPARG (0.33) GAACETPPTGDR2MARS1KMT2A
SCHEMBL7513617 0.80 GAA (0.38) GAACETPPARP3PPARGPPARD
SCHEMBL5752911 0.77 KMT2A (0.41) GAACETPMARS1KMT2ANOTUM

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