SCHEMBL1973157

SCHEMBL1973157

CC(=CCN1C(=O)c2ccccc2C1=O)CO

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
CASP3 P42574 1/20 0.47
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
GLS O94925 1/20 0.41
DRD3 P35462 1/20 0.40
HPGD P15428 2/20 0.40
PLIN1 O60240 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
PLIN5 Q00G26 1/20 0.40
ABHD5 Q8WTS1 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL1973155 1.00 ALDH1A1 (0.50) ALDH1A1CASP3CA12CA9NPSR1
SCHEMBL21744525 1.00 ALDH1A1 (0.50) ALDH1A1CASP3CA12CA9NPSR1
SCHEMBL11285292 0.85 ALDH1A1 (0.49) ALDH1A1CASP3CA12CA9GLS
SCHEMBL11285299 0.85 ALDH1A1 (0.49) ALDH1A1CASP3CA12CA9GLS
SCHEMBL21744814 0.85 ALDH1A1 (0.49) ALDH1A1CASP3CA12CA9GLS
SCHEMBL4017572 0.84 ALDH1A1 (0.55) ALDH1A1CASP3CA12CA9NPSR1
SCHEMBL9330325 0.81 MAPT (0.52) ALDH1A1CASP3DRD3MAPTALOX15
SCHEMBL9330335 0.81 MAPT (0.52) ALDH1A1CASP3DRD3MAPTALOX15
SCHEMBL16623099 0.81 ALDH1A1 (0.51) ALDH1A1CASP3CA12CA9NPSR1
SCHEMBL9330371 0.80 MAPT (0.54) ALDH1A1CASP3DRD3MAPTALOX15

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-0086454-A1 Preparation of trans-zeatin intermediate J.T. Baker Chemical Co. (US) 1983-08-24 EP claimed
EP-2509424-A1 NOVEL OXADIAZOLE COMPOUNDS Abbott Laboratories (US) 2012-10-17 EP disclosed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 WO disclosed
EP-0896063-B9 Method for the selection of genetically transformed cells and compounds for use in the method SYNGENTA PARTICIPATIONS AG (CH) 2010-05-26 EP disclosed
EP-0896063-B1 Method for the selection of genetically transformed cells and compounds for use in the method SYNGENTA PARTICIPATIONS AG (CH) 2009-09-23 EP disclosed
EP-0601092-B2 METHOD FOR THE SELECTION OF GENETICALLY TRANSFORMED CELLS AND COMPOUNDS FOR USE IN THE METHOD SYNGENTA PARTICIPATIONS AG (CH) 2006-11-15 EP disclosed
US-5994629-A Positive selection NOVARTIS AG (CH) 1999-11-30 US disclosed
EP-0601092-B1 METHOD FOR THE SELECTION OF GENETICALLY TRANSFORMED CELLS AND COMPOUNDS FOR USE IN THE METHOD NOVARTIS AG (CH) 1999-07-07 EP disclosed
EP-0896063-A2 Method for the selection of genetically transformed cells and compounds for use in the method Novartis AG (CH) 1999-02-10 EP disclosed
US-5210077-A Plant growth regulators THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1993-05-11 US disclosed
EP-0530129-A1 Method for the selection of genetically transformed cells and compounds for use in the method SANDOZ LTD. (CH) 1993-03-03 EP disclosed
EP-0086454-A1 Preparation of trans-zeatin intermediate J.T. Baker Chemical Co. (US) 1983-08-24 EP disclosed
EP-0086454-A1 Preparation of trans-zeatin intermediate J.T. Baker Chemical Co. (US) 1983-08-24 EP disclosed