SCHEMBL4938566

SCHEMBL4938566

CC(=CC1=NC(CCO)CN1)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.31
TBXAS1 P24557 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
SCHEMBL3453525 0.62
Ethylene Glycol SCHEMBL28108492 0.55 AKR1C3 (0.84) AKR1C3TBXAS1
Ethylene Glycol SCHEMBL900884 0.54 PTGS1 (0.36) AKR1C3
Ethylene Glycol SCHEMBL7742201 0.54 PTGS1 (0.36) AKR1C3
Ethylene Glycol SCHEMBL285424 0.54 PTGS1 (0.36) AKR1C3
Ethylene Glycol SCHEMBL7048051 0.54 PTGS1 (0.36) AKR1C3
Phosphine SCHEMBL28166002 0.54 CD81 (0.40) AKR1C3TBXAS1
SCHEMBL21040574 0.54 AKR1C3 (0.52) AKR1C3TBXAS1
SCHEMBL21002161 0.54 AKR1C3 (0.52) AKR1C3TBXAS1
SCHEMBL21001877 0.54 AKR1C3 (0.52) AKR1C3TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2185654-B1 EFFECT PIGMENTS BASED ON SUBSTRATES FORMED FROM INORGANIC-ORGANIC MIXED PHASES, PRODUCTION AND USE THEREOF ECKART GMBH (DE) 2013-12-18 EP disclosed
EP-1874874-B2 PEARLESCENT PIGMENTS COATED WITH MIXED INORGANIC/ORGANIC LAYERS AND METHOD FOR THE PRODUCTION THEREOF ECKART GMBH (DE) 2012-05-23 EP disclosed
EP-1874874-B1 PEARLESCENT PIGMENTS COATED WITH MIXED INORGANIC/ORGANIC LAYERS AND METHOD FOR THE PRODUCTION THEREOF ECKART GMBH (DE) 2008-11-19 EP disclosed
EP-1812519-B1 METAL EFFECT PIGMENTS COMPRISING A MIXED INORGANIC/ORGANIC LAYER, METHOD FOR THE PRODUCTION OF SUCH METAL EFFECT PIGMENTS, AND USE THEREOF ECKART GMBH (DE) 2008-09-10 EP disclosed