SCHEMBL16619795

SCHEMBL16619795

CCCCOC(=O)N1CC1C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA2 Q9HCG7 1/20 0.46
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.40
ATM Q13315 1/20 0.38
MMP2 P08253 1/20 0.37
ANPEP P15144 1/20 0.37
TSHR P16473 2/20 0.36
HPGD P15428 1/20 0.36
BCHE P06276 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
EPHX1 P07099 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ECE1 P42892 1/20 0.34
ACHE P22303 4/20 0.34
HCAR2 Q8TDS4 1/20 0.34

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
SCHEMBL16758164 0.87 ALDH1A1 (0.48) GBA2LMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL6819743 0.87 ALDH1A1 (0.48) GBA2LMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL10084211 0.87 ALDH1A1 (0.48) GBA2LMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL28819356 0.87 ALDH1A1 (0.48) GBA2LMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL28233898 0.86 GBA2 (0.40) GBA2LMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL13182580 0.86 ANPEP (0.58) GBA2LMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL15719677 0.86 PEPD (0.47) GBA2LMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL8149606 0.86 ANPEP (0.58) GBA2LMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL6126995 0.83 GBA2 (0.39) GBA2LMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL8141816 0.82 FKBP1A (0.48) LMNAPOLBSMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3166936-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES Dow AgroSciences LLC (US) 2017-05-17 EP disclosed
EP-3052490-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY Dow AgroSciences LLC (US) 2016-08-10 EP disclosed
EP-3052491-A1 USE OF MACROCYLIC PICOLINAMIDES AS FUNGICIDES Dow AgroSciences LLC (US) 2016-08-10 EP disclosed
WO-2016007529-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2016-01-14 WO disclosed
WO-2015050818-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2015-04-09 WO disclosed
WO-2015050819-A1 USE OF MACROCYLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2015-04-09 WO disclosed