SCHEMBL1830641

SCHEMBL1830641

OCCCC=Cc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.44
NFE2L2 Q16236 4/20 0.43
PTGS1 P23219 2/20 0.42
TNFRSF1A P19438 1/20 0.40
DRD2 P14416 2/20 0.40
TRPA1 O75762 3/20 0.40
GRIK1 P39086 1/20 0.40
GRIK2 Q13002 1/20 0.40
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39
APP P05067 1/20 0.38
FBP1 P09467 1/20 0.37

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
SCHEMBL7097682 0.88 HSD11B1 (0.47) HSD11B1NFE2L2PTGS1TNFRSF1ADRD2
SCHEMBL7097687 0.88 HSD11B1 (0.47) HSD11B1NFE2L2PTGS1TNFRSF1ADRD2
SCHEMBL4772823 0.80 NFE2L2 (0.43) HSD11B1NFE2L2PTGS1TNFRSF1ADRD2
SCHEMBL15050819 0.80 NFE2L2 (0.47) HSD11B1NFE2L2PTGS1TRPA1ALOX5
SCHEMBL29278715 0.80 GRIK1 (0.41) GRIK1GRIK2
SCHEMBL4772837 0.80 NFE2L2 (0.43) HSD11B1NFE2L2PTGS1TNFRSF1ADRD2
SCHEMBL5728588 0.80 NFE2L2 (0.43) HSD11B1NFE2L2PTGS1DRD2GRIK1
SCHEMBL15050816 0.80 NFE2L2 (0.47) HSD11B1NFE2L2PTGS1TRPA1ALOX5
SCHEMBL15323034 0.79 HSD11B1 (0.38) HSD11B1NFE2L2PTGS1TNFRSF1ATRPA1
SCHEMBL5470587 0.79 PAM (0.50)

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-2321287-B1 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-11-11 EP disclosed
EP-2321287-A1 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-05-18 EP disclosed
WO-2010010014-A1 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 WO disclosed
EP-0068331-A1 Tetrahydrofuran compounds and analogs thereof Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1983-01-05 EP disclosed