SCHEMBL7768685

SCHEMBL7768685

O=C(O)OC1CC(=O)N(CCN2CC(OC(=O)O)CC2=O)C1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 2/20 0.37
APEX1 P27695 1/20 0.36
BLM P54132 1/20 0.36
ATM Q13315 1/20 0.34
BRD4 O60885 2/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 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
SCHEMBL6613370 0.89 L3MBTL1 (0.40) SMN1; SMN2ALDH1A1
SCHEMBL3700318 0.87 L3MBTL1 (0.47) SMN1; SMN2POLBBRD4ALDH1A1
SCHEMBL6614270 0.87 ACHE (0.44) SMN1; SMN2ALDH1A1
SCHEMBL2719198 0.85 ALDH1A1 (0.45) ALDH1A1
SCHEMBL3669603 0.85 ALDH1A1 (0.45) ALDH1A1
SCHEMBL6611026 0.83 HPGD (0.53) SMN1; SMN2POLBATMHPGDALDH1A1
SCHEMBL692642 0.82 HSD17B10 (0.37) POLBAPEX1BLMALDH1A1
SCHEMBL688493 0.82 POLB (0.60) POLBALDH1A1
SCHEMBL7275276 0.81 DPP4 (0.48) SMN1; SMN2POLBATMHPGDALDH1A1
SCHEMBL2709981 0.80 CYP3A4 (0.37) SMN1; SMN2POLBBRD4HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2971064-B1 PROXIMITY ASSAY FOR IN SITU DETECTION OF TARGETS VENTANA MED SYST INC (US) 2019-10-16 EP claimed
EP-0743574-B1 Migration imaging members XEROX CORP (US) 2000-12-27 EP claimed
EP-0743573-B1 Method for obtaining image contrast migration imaging members XEROX CORP (US) 2000-09-06 EP claimed
EP-1112271-A1 ERGOLINE AMINE DERIVATIVES WITH BLOOD PRESSURE LOWERING EFFECT Cybio Screening GmbH (DE) 2001-07-04 EP disclosed
WO-2000004018-A1 ERGOLINE AMINE DERIVATIVES WITH BLOOD PRESSURE LOWERING EFFECT CYBIO SCREENING GMBH (DE) 2000-01-27 WO disclosed