SCHEMBL7207836

SCHEMBL7207836

O=C(OCI)Oc1ccc(Cl)cc1Cn1nc(-c2ccc(C(F)(F)F)cc2)oc1=O

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
CETP P11597 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
PTGER1 P34995 6/20 0.34
GPR55 Q9Y2T6 1/20 0.33
MARS1 P56192 1/20 0.33
NOTUM Q6P988 1/20 0.33
ABHD6 Q9BV23 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
SCHEMBL7209076 0.92 GAA (0.37) GAACETPKMT2APTGDR2PTGER1
SCHEMBL7207825 0.90 GAA (0.36) GAACETPKMT2APTGDR2PTGER1
SCHEMBL7208535 0.88 CETP (0.35) GAACETPKMT2APTGDR2PTGER1
SCHEMBL8058096 0.88 CETP (0.38) GAACETPKMT2APTGDR2PTGER1
SCHEMBL8047891 0.88 GAA (0.36) GAACETPKMT2APTGER1GPR55
SCHEMBL7209116 0.86 GAA (0.38) GAACETPKMT2APTGDR2PTGER1
SCHEMBL7506976 0.84 PTGER1 (0.37) GAACETPKMT2APTGER1ABHD6
SCHEMBL7515851 0.84 PTGER1 (0.34) GAACETPPTGDR2PTGER1
SCHEMBL7212915 0.83 KMT2A (0.39) GAACETPKMT2APTGDR2PTGER1
SCHEMBL7141017 0.83 ABHD6 (0.43) KMT2ANOTUMABHD6

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-1056754-B1 PHOSPHATE DERIVATIVES OF DIARYL 1,3,4-OXADIAZOLONE BRISTOL MYERS SQUIBB CO (US) 2003-10-22 EP disclosed
EP-1056754-A4 PHOSPHATE DERIVATIVES OF DIARYL 1,3,4-OXADIAZOLONE BRISTOL MYERS SQUIBB CO (US) 2002-03-06 EP disclosed
EP-1056754-A1 PHOSPHATE DERIVATIVES OF DIARYL 1,3,4-OXADIAZOLONE Bristol-Myers Squibb Company (US) 2000-12-06 EP disclosed
WO-1999038873-A1 PHOSPHATE DERIVATIVES OF DIARYL 1,3,4-OXADIAZOLONE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-08-05 WO disclosed