SCHEMBL6655082

SCHEMBL6655082

C#CCOc1ccc(CCNC(=O)C(Cl)c2ccc(Br)cc2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
ALDH1A1 P00352 5/20 0.48
POLB P06746 1/20 0.46
GRK2 P25098 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
LMNA P02545 1/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL6660272 0.91 GAA (0.53) ALDH1A1CA12CA1CA2CA9
SCHEMBL6816330 0.89 MAPT (0.51) MAPTALDH1A1POLBGRK2CA12
SCHEMBL6225902 0.89 MAPT (0.48) MAPTALDH1A1POLBGRK2CA12
SCHEMBL6225908 0.89 MAPT (0.48) MAPTALDH1A1POLBGRK2CA12
SCHEMBL6656334 0.88 ALDH1A1 (0.47) MAPTALDH1A1CA12CA1CA2
SCHEMBL6231481 0.88 MAPT (0.48) MAPTALDH1A1POLBGRK2CA12
SCHEMBL6233243 0.88 MAPT (0.48) MAPTALDH1A1POLBGRK2CA12
SCHEMBL6655427 0.87 MAPT (0.49) MAPTALDH1A1POLBGRK2CA12
SCHEMBL6231469 0.86 MAPT (0.46) MAPTALDH1A1POLBGRK2CA12
SCHEMBL6231466 0.86 MAPT (0.46) MAPTALDH1A1POLBGRK2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1282595-B1 NOVEL PHENYL-PROPARGYLETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-07-14 EP claimed
US-6683211-B1 FUNGICIDES FOR CROPS SYNGENTA CROP PROTECTION, INC. 2004-01-27 US claimed
EP-1282595-A1 NOVEL PHENYL-PROPARGYLETHER DERIVATIVES Syngenta Participations AG (CH) 2003-02-12 EP claimed
WO-2001087822-A1 NOVEL PHENYL-PROPARGYLETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2001-11-22 WO claimed
EP-1282595-B1 NOVEL PHENYL-PROPARGYLETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-07-14 EP disclosed
US-6683211-B1 FUNGICIDES FOR CROPS SYNGENTA CROP PROTECTION, INC. 2004-01-27 US disclosed
EP-1282595-A1 NOVEL PHENYL-PROPARGYLETHER DERIVATIVES Syngenta Participations AG (CH) 2003-02-12 EP disclosed
WO-2001087822-A1 NOVEL PHENYL-PROPARGYLETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2001-11-22 WO disclosed