SCHEMBL5069192

SCHEMBL5069192

CC(=O)N1CCOC(=O)CC1.O=CN1CCOC(=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
NOTUM Q6P988 2/20 0.34
PTAFR P25105 1/20 0.33
CYP1A2 P05177 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.31
ERN1 O75460 1/20 0.30
SHMT2 P34897 1/20 0.30
GAA P10253 1/20 0.30
GFER P55789 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL732313 0.87 SMN1; SMN2 (0.52) SMN1; SMN2NOTUMPTAFRCYP1A2TDP1
SCHEMBL756510 0.83 ALDH1A1 (0.42) ALDH1A1LMNATSHR
SCHEMBL27508694 0.75 SMN1; SMN2 (0.54) SMN1; SMN2NOTUMCYP1A2TDP1ALDH1A1
SCHEMBL17094569 0.74 SMN1; SMN2 (0.58) SMN1; SMN2NOTUMPTAFRCYP1A2TDP1
SCHEMBL29257696 0.71 SMN1; SMN2 (0.48) SMN1; SMN2NOTUMCYP1A2TDP1LMNA
SCHEMBL1307070 0.70 CYP1A2 (0.54) SMN1; SMN2CYP1A2TDP1ALDH1A1HPGD
SCHEMBL28112414 0.67
SCHEMBL20055706 0.67 CYP1A2 (0.44) SMN1; SMN2CYP1A2TDP1MEN1ALDH1A1
SCHEMBL19813205 0.66 USP2 (0.60) SMN1; SMN2MEN1ALDH1A1LMNAMAPT
SCHEMBL12192691 0.65 CYP1A2 (0.48) SMN1; SMN2CYP1A2TDP1MEN1ALDH1A1

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-1984036-A2 4-AZA-CAPROLACTONE-BASED POLYMERIC COMPOSITIONS USEFUL FOR THE MANUFACTURE OF BIODEGRADABLE MEDICAL DEVICES AND AS MEDICAL DEVICE COATINGS Medtronic Vascular Inc. (US) 2008-10-29 EP disclosed
WO-2007024481-A2 4-AZA-CAPROLACTONE-BASED POLYMERIC COMPOSITIONS USEFUL FOR THE MANUFACTURE OF BIODEGRADABLE MEDICAL DEVICES AND AS MEDICAL DEVICE COATINGS MEDTRONIC VASCULAR, INC. (US) 2007-03-01 WO disclosed