SCHEMBL6017672

SCHEMBL6017672

CCCCOC(=O)N1CC(=O)CC1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GBA2 Q9HCG7 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 1/20 0.36
BCHE P06276 1/20 0.35
ECE1 P42892 1/20 0.34
ATM Q13315 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
RAB9A P51151 1/20 0.34
ACE P12821 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL27844684 0.86 MMP2 (0.46) GBA2LMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL14918089 0.86 MMP2 (0.46) GBA2LMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL4790645 0.86 L3MBTL1 (0.43) GBA2LMNAPOLBSMN1; SMN2L3MBTL1
SCHEMBL1758914 0.84 MMP1 (0.41) GBA2LMNAPOLBSMN1; SMN2L3MBTL1
SCHEMBL30749031 0.82 LMNA (0.41) GBA2LMNAPOLBSMN1; SMN2L3MBTL1
SCHEMBL17787891 0.81 PREP (0.38) GBA2LMNAPOLBSMN1; SMN2BCHE
SCHEMBL27580687 0.80 ACE (0.56) POLBL3MBTL1ACETDP1
SCHEMBL27580689 0.80 ACE (0.56) POLBL3MBTL1ACETDP1
SCHEMBL18190855 0.78 RAB9A (0.57) LMNAPOLBALDH1A1RAB9AACE
SCHEMBL18190854 0.78 RAB9A (0.57) LMNAPOLBALDH1A1RAB9AACE

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
WO-2021074392-A1 VISUAL DETECTION OF PBD INDUCED DNA CROSSLINKS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2021-04-22 WO disclosed
EP-3083562-A1 PHENOXYETHYL CYCLIC AMINE DERIVATIVES AND THEIR ACTIVITY AS EP4 RECEPTOR MODULATORS Eli Lilly & Company (US) 2016-10-26 EP disclosed
WO-2015094902-A1 PHENOXYETHYL CYCLIC AMINE DERIVATIVES AND THEIR ACTIVITY AS EP4 RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2015-06-25 WO disclosed
WO-2012170845-A2 METABOTROPIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF HEFFERNAN MICHELE L R (US) 2012-12-13 WO disclosed
EP-1725526-A2 METHOD FOR PREPARING PYRROLIDINE OXIMES Applied Research Systems ARS Holding N.V. (AN) 2006-11-29 EP disclosed
WO-2005082848-A2 METHOD FOR PREPARING PYRROLIDINE OXIMES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-09-09 WO disclosed