SCHEMBL7506972

SCHEMBL7506972

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.38
MARS1 P56192 1/20 0.35
KMT2A Q03164 1/20 0.35
P2RY14 Q15391 1/20 0.34
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
PTGER4 P35408 1/20 0.33
GAA P10253 1/20 0.33
CMA1 P23946 1/20 0.33
EEF2K O00418 1/20 0.33
GRIK1 P39086 1/20 0.32
IKBKB O14920 1/20 0.32
AVPR2 P30518 1/20 0.32
AVPR1A P37288 1/20 0.32
PTGDR2 Q9Y5Y4 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
SCHEMBL7513609 0.87 GAA (0.35) CETPMARS1KMT2AP2RY14PSEN1
SCHEMBL7515846 0.87 UTS2R (0.37) CETPMARS1KMT2APSEN1PSEN2
SCHEMBL7506981 0.86 EEF2K (0.38) CETPMARS1KMT2ANOTUMPTGER4
SCHEMBL7516740 0.85 NOTUM (0.35) CETPMARS1KMT2ANOTUMPTGER4
SCHEMBL7517203 0.85 GAA (0.39) CETPMARS1KMT2ANOTUMPTGER4
SCHEMBL5752911 0.81 KMT2A (0.41) CETPMARS1KMT2ANOTUMGAA
SCHEMBL29572389 0.81 KMT2A (0.41) CETPMARS1KMT2ANOTUMGAA
SCHEMBL7515836 0.80 PPARG (0.33) CETPMARS1KMT2ANOTUMGAA
SCHEMBL7513619 0.80 PTGDR2 (0.38) CETPMARS1KMT2ANOTUMGAA
SCHEMBL7506976 0.80 PTGER1 (0.37) CETPKMT2AGAA

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