SCHEMBL3391434

SCHEMBL3391434

O=CCc1ccc(OC(F)F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 2/20 0.41
▸ ALOX15 P16050 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ ADAM17 P78536 1/20 0.37
▸ ALDH1A1 P00352 6/20 0.36
▸ ATM Q13315 2/20 0.36
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MDM2 Q00987 1/20 0.34
▸ GPR6 P46095 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PTGER4 P35408 1/20 0.33
▸ MAOB P27338 1/20 0.33

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
SCHEMBL17423546 0.85 FFAR4 (0.45) ALDH1A1FFAR4POLBKMT2A
SCHEMBL12474306 0.83 GPR6 (0.36) DRD1ALOX15GFERADAM17ALDH1A1
SCHEMBL3393672 0.82 ALDH1A1 (0.40) DRD1ALOX15GFERADAM17ALDH1A1
SCHEMBL20494966 0.81 ALDH1A1 (0.41) DRD1ALOX15GFERADAM17ALDH1A1
SCHEMBL17769042 0.80 GPR3 (0.40) FFAR4MAOB
SCHEMBL4438609 0.79 CHRM2 (0.47) ALDH1A1FFAR4MAOBPOLB
SCHEMBL13615572 0.79 ALOX15 (0.37) DRD1ALOX15GFERADAM17ALDH1A1
SCHEMBL12474364 0.77 ALOX15 (0.36) DRD1ALOX15GFERADAM17ALDH1A1
SCHEMBL1287536 0.77 GPR6 (0.36) DRD1ALOX15GFERADAM17ALDH1A1
SCHEMBL4677271 0.77 ALOX15 (0.40) ALOX15GFERADAM17ALDH1A1ATM

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-2245019-A1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-11-03 — — EP disclosed
WO-2009103626-A1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 — — WO disclosed
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