SCHEMBL7829265

SCHEMBL7829265

Fc1ccc(/C=C/c2ccc(C3COC(c4c(F)cccc4F)=N3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.46
SENP8 Q96LD8 2/20 0.46
SENP7 Q9BQF6 2/20 0.46
SENP6 Q9GZR1 2/20 0.46
NOS3 P29474 2/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
NFE2L2 Q16236 3/20 0.43
NOS2 P35228 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
MAPT P10636 2/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NOS1 P29475 1/20 0.36

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
SCHEMBL7829270 1.00 CASP3 (0.46) CASP3SENP8SENP7SENP6NOS3
SCHEMBL5737906 0.92 MAPT (0.44) CASP3SENP8SENP7SENP6NOS3
SCHEMBL5737905 0.92 MAPT (0.44) CASP3SENP8SENP7SENP6NOS3
SCHEMBL5737830 0.85 MAPT (0.39) NOS3ALDH1A1LMNAHTTTAAR1
SCHEMBL5735950 0.85 NPC1 (0.39) NOS3ALDH1A1LMNAHTTTAAR1
SCHEMBL8773925 0.85 TAAR1 (0.40) CASP3SENP8SENP7SENP6NOS3
SCHEMBL8818079 0.84 NOS3 (0.45) NOS3ALDH1A1LMNAHTTNOS2
SCHEMBL5734338 0.82 MAPT (0.36) NOS3ALDH1A1LMNAHTTNOS2
SCHEMBL5734335 0.82 MAPT (0.36) NOS3ALDH1A1LMNAHTTNOS2
SCHEMBL23178803 0.80 MAPT (0.41) NOS3ALDH1A1LMNAHTTTAAR1

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-0712394-B1 ARTHROPODICIDAL OXAZOLINES AND THIAZOLINES DU PONT (US) 2001-11-28 EP disclosed