SCHEMBL906629

SCHEMBL906629

NC1(OC(=O)O)CC2CCC1C2

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.34
THRB P10828 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL8664986 0.86 THRB (0.39) THRBCYP2C9
SCHEMBL25509617 0.74 HSD11B1 (0.34) HSD11B1
SCHEMBL6339275 0.73
SCHEMBL28318267 0.72
SCHEMBL26746340 0.71 SLC6A4 (0.41) HSD11B1THRBCYP2C9
SCHEMBL3733593 0.71 SLC6A4 (0.41) HSD11B1THRBCYP2C9
SCHEMBL202772 0.71 SLC6A4 (0.41) HSD11B1THRBCYP2C9
SCHEMBL23057412 0.70 HSD11B1 (0.32) HSD11B1
SCHEMBL24064295 0.70 HSD11B1 (0.32) HSD11B1
SCHEMBL25509618 0.70 HSD11B1 (0.35) HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920307-A2 DERIVATES FROM BISARYLTETRACARBONACID, AND PHARMARCEUTICAL PRODUCT CONTAINING THEM Roche Diagnostics GmbH (DE) 1999-06-09 EP claimed
WO-1998006386-A2 DERIVATES FROM BISARYLTETRACARBONACID, AND PHARMARCEUTICAL PRODUCT CONTAINING THEM ROCHE DIAGNOSTICS GMBH (DE) 1998-02-19 WO claimed
EP-2276752-B1 COMPOUND COMPOSED OF A METAL ION AND A MARKER PRECURSOR HAVING TWO OR MORE TARGETING VECTORS, AND USE OF THE COMPOUND Johannes Gutenberg-Universität Mainz (DE) 2017-07-26 EP disclosed
EP-2276752-A1 COMPOUND COMPOSED OF A METAL ION AND A MARKER PRECURSOR HAVING TWO OR MORE TARGETING VECTORS, AND USE OF THE COMPOUND Johannes Gutenberg-Universität Mainz (DE) 2011-01-26 EP disclosed
WO-2010097374-A1 COMPOUNDS FOR USE AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed
WO-2009124764-A1 COMPOUND COMPOSED OF A METAL ION AND A MARKER PRECURSOR HAVING TWO OR MORE TARGETING VECTORS, AND USE OF THE COMPOUND Johannes Gutenberg-Universität Mainz (DE) 2009-10-15 WO disclosed
EP-1747217-A1 NOVEL SUBSTITUTED THIOPHENECARBOXAMIDES, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2007-01-31 EP disclosed
WO-2005111029-A1 NOVEL SUBSTITUTED THIOPHENECARBOXAMIDES, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed
EP-0920307-A2 DERIVATES FROM BISARYLTETRACARBONACID, AND PHARMARCEUTICAL PRODUCT CONTAINING THEM Roche Diagnostics GmbH (DE) 1999-06-09 EP disclosed
EP-0846127-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY Novartis AG (CH) 1998-06-10 EP disclosed
WO-1998006386-A2 DERIVATES FROM BISARYLTETRACARBONACID, AND PHARMARCEUTICAL PRODUCT CONTAINING THEM ROCHE DIAGNOSTICS GMBH (DE) 1998-02-19 WO disclosed
WO-1997008193-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY NOVARTIS AG (CH) 1997-03-06 WO disclosed
EP-0518088-A2 Process for clostripain-catalysed coupling of Arg-Pro and Arg-B (B=proteinogenic or non proteinogenic amino acids) containing them HOECHST AKTIENGESELLSCHAFT (DE) 1992-12-16 EP disclosed