SCHEMBL7412905

SCHEMBL7412905

CCc1c(C(=O)O)noc1C=O

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.41
GRIA3 P42263 1/20 0.41
HCAR2 Q8TDS4 2/20 0.36
PTPN1 P18031 1/20 0.31

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
SCHEMBL5451073 0.76 GRIA1 (0.60) GRIA1GRIA3HCAR2PTPN1
SCHEMBL16571684 0.76 GRIA1 (0.44) GRIA1GRIA3HCAR2PTPN1
SCHEMBL16571889 0.73 GRIA1 (0.41) GRIA1GRIA3HCAR2PTPN1
SCHEMBL16571451 0.71 GRIA1 (0.41) GRIA1GRIA3HCAR2PTPN1
SCHEMBL18550683 0.70 GRIA1 (0.40) GRIA1GRIA3HCAR2PTPN1
SCHEMBL16571467 0.69 GRIA1 (0.42) GRIA1GRIA3HCAR2
SCHEMBL2564471 0.68 PTPN1 (0.61) PTPN1
SCHEMBL1807557 0.68 GRIA1 (0.38) GRIA1GRIA3HCAR2PTPN1
SCHEMBL4054647 0.67 PTPN1 (0.41) GRIA1GRIA3PTPN1
SCHEMBL19668565 0.66 KDM4E (0.42) PTPN1

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
US-6177425-B1 STEREOSPECIFIC ENANTIOMER HAVING ANTIINFLAMMATORY AND NEUTROPHIL ELASTASE INHIBITING ACTIVITY; FOR TREATMENT OF CHRONIC BRONCHITIS IN HUMANS OR ANIMALS GLAXO WELLCOME INC. 2001-01-23 US disclosed
EP-1015455-A1 PYRROLOPYRROLONE DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-07-05 EP disclosed
EP-1003748-A2 PYRROLOPYRROLONE DERIVATIVES AS INHIBITORS OF NEUTROPHIL ELASTASE GLAXO GROUP LIMITED (GB) 2000-05-31 EP disclosed
WO-1999012934-A1 PYRROLOPYRROLONE DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-03-18 WO disclosed
WO-1999012933-A2 PYRROLOPYRROLONE DERIVATIVES AS INHIBITORS OF NEUTROPHIL ELASTASE GLAXO GROUP LIMITED (GB) 1999-03-18 WO disclosed