SCHEMBL16961608

SCHEMBL16961608

[CH2]C(CO)c1cc(F)ccc1OC(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PDE4B Q07343 5/20 0.31
▸ PDE4A P27815 4/20 0.31
▸ PDE4C Q08493 3/20 0.31
▸ PDE4D Q08499 3/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PKM P14618 1/20 0.30
▸ PSEN1 P49768 1/20 0.30
▸ PSEN2 P49810 1/20 0.30
▸ APH1B Q8WW43 1/20 0.30

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
SCHEMBL16954024 0.86 KCNH2 (0.36) KMT2ASLC6A4KCNH2NTRK1MAPT
SCHEMBL16953498 0.83 HPGD (0.34) HTTSMN1; SMN2PDE4BPDE4APDE4C
SCHEMBL16958907 0.83 KMT2A (0.40) HTTPDE4AKMT2ALMNAALDH1A1
SCHEMBL16953760 0.82 ADRA2A (0.38) SMN1; SMN2SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL16961984 0.81 L3MBTL1 (0.38) SMN1; SMN2PDE4BPDE4APDE4CPDE4D
SCHEMBL16954586 0.80 ALDH1A1 (0.34) HTTSMN1; SMN2PDE4BPDE4APDE4C
SCHEMBL16951360 0.79 PDE2A (0.35) SLC6A2SLC6A4SLC6A3KCNH2SCN9A
SCHEMBL16956920 0.78 HTR2A (0.37) HTTSMN1; SMN2PDE4BKMT2ASLC6A4
SCHEMBL16950475 0.77 KMT2A (0.34) HTTSMN1; SMN2KMT2ASLC6A2SLC6A4
SCHEMBL16952073 0.77 MAPT (0.44) HTTSMN1; SMN2PDE4BKMT2ALMNA

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-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
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