SCHEMBL7687519

SCHEMBL7687519

CCCC(=O)OC1COC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.46
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.34
NLRP3 Q96P20 1/20 0.34
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
PRKCA P17252 5/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 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
SCHEMBL7693755 0.88 NAAA (0.56) NAAASMN1; SMN2PRKCACES2CES1
SCHEMBL22072502 0.86 NAAA (0.39) NAAAALDH1A1NLRP3PDE4APDE4B
SCHEMBL29830733 0.85 PDE4D (0.45) NAAAALDH1A1SMN1; SMN2PDE4APDE4B
SCHEMBL10291286 0.85 NAAA (0.67) NAAAPRKCA
SCHEMBL16161014 0.83
SCHEMBL10692772 0.80 NAAA (0.50) NAAAALDH1A1SMN1; SMN2CES2CES1
SCHEMBL31396056 0.80 NAAA (0.50) NAAAALDH1A1SMN1; SMN2CES2CES1
SCHEMBL10692765 0.80 NAAA (0.50) NAAAALDH1A1SMN1; SMN2CES2CES1
SCHEMBL8690677 0.80
SCHEMBL2201247 0.80 NAAA (0.51) NAAAALDH1A1SMN1; SMN2PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6337305-B1 HERBICIDES FOR AGRICULTURE BASF AKTIENGESELLSCHAFT (DE) 2002-01-08 US disclosed
EP-0968188-A1 SUBSTITUTED 2-BENZ(O)YLPYRIDINES, THEIR PREPARATION AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-01-05 EP disclosed
WO-1998042671-A1 SUBSTITUTED 2-BENZ(O)YLPYRIDINES, THEIR PREPARATION AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-10-01 WO disclosed