SCHEMBL7208535

SCHEMBL7208535

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

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.33
ABHD6 Q9BV23 1/20 0.33
PTGER1 P34995 3/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
PTGER4 P35408 1/20 0.31
MARS1 P56192 1/20 0.31

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
SCHEMBL7208501 0.89 CETP (0.37) CETPGAAKMT2AABHD6PTGER1
SCHEMBL7207825 0.89 GAA (0.36) CETPGAAKMT2AABHD6PTGER1
SCHEMBL7209076 0.89 GAA (0.37) CETPGAAKMT2AABHD6PTGER1
SCHEMBL7212720 0.89 CETP (0.38) CETPGAAKMT2AABHD6PTGER1
SCHEMBL7207836 0.88 GAA (0.37) CETPGAAKMT2AABHD6PTGER1
SCHEMBL7207878 0.86 CETP (0.37) CETPGAAKMT2AABHD6PTGER1
SCHEMBL8058096 0.85 CETP (0.38) CETPGAAKMT2AABHD6PTGER1
SCHEMBL8047891 0.85 GAA (0.36) CETPGAAKMT2AABHD6PTGER1
SCHEMBL7209116 0.84 GAA (0.38) CETPGAAKMT2AABHD6PTGER1
SCHEMBL7506976 0.81 PTGER1 (0.37) CETPGAAKMT2AABHD6PTGER1

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 2 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 claimed
EP-1056754-B1 PHOSPHATE DERIVATIVES OF DIARYL 1,3,4-OXADIAZOLONE BRISTOL MYERS SQUIBB CO (US) 2003-10-22 EP disclosed