SCHEMBL6682272

SCHEMBL6682272

O=C(O)O[C@H]1Cc2cc(OC(F)(F)F)ccc2O[C@H]1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
FFAR4 Q5NUL3 8/20 0.45
FFAR1 O14842 3/20 0.45
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
PPARA Q07869 5/20 0.38
BCL2L1 Q07817 1/20 0.36
MCL1 Q07820 1/20 0.36
PIM1 P11309 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
PPARD Q03181 2/20 0.36
PPARG P37231 1/20 0.34

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
SCHEMBL6412233 0.83 PTGS1 (0.47) PTGS1PTGS2FFAR4FFAR1PPARA
SCHEMBL6683777 0.83 PTGS2 (0.41) PTGS1PTGS2FFAR4FFAR1GABRA1
SCHEMBL6406536 0.83 PTGS1 (0.47) PTGS1PTGS2FFAR4FFAR1PPARA
SCHEMBL6680877 0.80 PTGS2 (0.45) PTGS1PTGS2GABRA1GABRB2
SCHEMBL6684596 0.72 PTGS2 (0.46) PTGS1PTGS2PPARAPPARDPPARG
SCHEMBL6437666 0.71 TDP1 (0.48) PTGS1PTGS2FFAR4FFAR1GABRA1
SCHEMBL6681124 0.71 PTGS2 (0.41) PTGS1PTGS2
SCHEMBL1519550 0.70 TP53 (0.47) PTGS1PTGS2FFAR4FFAR1BCL2L1
SCHEMBL6408673 0.69 ALOX5 (0.44) FFAR4PPARAPPARG
SCHEMBL6407685 0.69 ALOX5 (0.44) FFAR4PPARAPPARG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1274700-B1 DIHYDROBENZOPYRANS, DIHYDROBENZOTHIOPYRANS, AND TETRAHYDROQUINOLINES FOR THE TREATMENT OF COX-2-MEDIATED DISORDERS PHARMACIA CORP (US) 2004-11-17 EP claimed