SCHEMBL18098901

SCHEMBL18098901

CCO[C@@H]1[C@@H](OC)[C@H](C)O[C@H](OC(=O)Nc2ccc(-c3ncn(-c4ccc(OC(F)(F)F)cc4)n3)cc2)[C@@H]1OC

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.36
ABL1 P00519 2/20 0.35
POLB P06746 1/20 0.34
LMNA P02545 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
ACHE P22303 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PKM P14618 1/20 0.33
XBP1 P17861 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
SCHEMBL16079290 1.00 MAPT (0.36) MAPTABL1POLBLMNATRPV1
SCHEMBL18098989 0.95 MAPT (0.34) MAPTABL1POLBLMNATRPV1
SCHEMBL20551001 0.95 MAPT (0.34) MAPTABL1POLBLMNATRPV1
SCHEMBL10316170 0.94 MAPT (0.33) MAPTABL1POLBLMNAL3MBTL1
SCHEMBL10316169 0.94 MAPT (0.33) MAPTABL1POLBLMNAL3MBTL1
SCHEMBL4549498 0.94 MAPT (0.37) MAPTABL1LMNATRPV1ACHE
SCHEMBL20550978 0.94 MAPT (0.37) MAPTABL1LMNATRPV1ACHE
SCHEMBL18098917 0.93 MAPT (0.33) MAPTPOLBL3MBTL1
SCHEMBL18098913 0.92 MAPT (0.33) MAPTABL1LMNATRPV1ACHE
SCHEMBL18098881 0.91 ABCG2 (0.37) MAPT

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-2247603-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2016-09-28 EP disclosed