SCHEMBL13296263

SCHEMBL13296263

CCC1=CC(=O)OC(C)(C)C1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 1/20 0.34
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 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
SCHEMBL13647772 0.72 ACHE (0.37) ACHEALDH1A1HPGDMAPTKDM4E
SCHEMBL5880765 0.71 ALDH1A1 (0.40) ACHEALDH1A1MAPTKDM4EMEN1
SCHEMBL12519883 0.69 LMNA (0.37) ALDH1A1HPGDMAPTKDM4EMEN1
SCHEMBL19621118 0.67 LMNA (0.50) ALDH1A1HPGDMAPTKDM4EMEN1
SCHEMBL7235362 0.64 ALDH1A1 (0.33) ACHEALDH1A1HPGD
SCHEMBL979693 0.64
SCHEMBL18337134 0.63
SCHEMBL1331203 0.62
SCHEMBL16870057 0.62 ALDH1A1 (0.33) ACHEALDH1A1HPGDKDM4E
SCHEMBL444909 0.60 KDM4E (0.31) KDM4E

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-1389216-B1 AVERMECTINS SUBSTITUTED IN THE 4\"-POSITION HAVING PESTICIDAL PROPERTIES MERIAL INC (US) 2017-02-22 EP disclosed
US-7732416-B2 For protecting plants against parasitic feeding pests; also against the infestation of pets, especially cats and dogs, by fleas, ticks and nematodes; pesticides for crop protection MERIAL LIMITED (US) 2010-06-08 US disclosed