SCHEMBL3852438

SCHEMBL3852438

COC(=O)OC1(O)CCCNC1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL27992610 0.81
SCHEMBL3844048 0.77 KDM4E (0.38)
SCHEMBL28066814 0.74 ALDH1A1 (0.34) ALDH1A1
SCHEMBL659895 0.70 NPSR1 (0.37) ALDH1A1
SCHEMBL17892425 0.67 NPSR1 (0.37) ALDH1A1
Hydrochloric Acid SCHEMBL31719805 0.66 CYP4F2 (0.41) ALDH1A1
Hydrochloric Acid SCHEMBL23363609 0.66 NPSR1 (0.36) ALDH1A1
Piperidine SCHEMBL28869229 0.65 ALDH1A1 (0.47) ALDH1A1
SCHEMBL13766457 0.65 MAPT (0.35) ALDH1A1
SCHEMBL6913918 0.64 CYP1A2 (0.31)

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-2834221-B1 CYCLIC AMIDES AS METAP-2 INHIBITORS MERCK PATENT GMBH (DE) 2016-05-25 EP claimed
EP-2834221-B1 CYCLIC AMIDES AS METAP-2 INHIBITORS MERCK PATENT GMBH (DE) 2016-05-25 EP disclosed
EP-2834221-A1 CYCLIC AMIDES AS METAP-2 INHIBITORS Merck Patent GmbH (DE) 2015-02-11 EP disclosed
WO-2013149704-A1 CYCLIC AMIDES AS METAP-2 INHIBITORS MERCK PATENT GMBH (DE) 2013-10-10 WO disclosed
EP-2054053-A1 BIPHENYL SUBSTITUTED SPIROTETRONIC ACIDS AND THEIR USE FOR THE TREATMENT OF RETROVIRAL DISORDERS AiCuris GmbH & Co. KG (DE) 2009-05-06 EP disclosed
WO-2008022725-A1 BIPHENYL SUBSTITUTED SPIROTETRONIC ACIDS AND THEIR USE FOR THE TREATMENT OF RETROVIRAL DISORDERS AICURIS GMBH & CO. KG (DE) 2008-02-28 WO disclosed