SCHEMBL5663286

SCHEMBL5663286

O/N=C\CCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TRPA1 O75762 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
GPR52 Q9Y2T5 5/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.42
MAOB P27338 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
KEAP1 Q14145 1/20 0.41
CYP2A6 P11509 1/20 0.41
HTR2A P28223 1/20 0.41

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
SCHEMBL368055 1.00 TDP1 (0.46) TDP1SMN1; SMN2TRPA1TRPV1GPR52
SCHEMBL368054 1.00 TDP1 (0.46) TDP1SMN1; SMN2TRPA1TRPV1GPR52
SCHEMBL4891051 0.87 HTR3A (0.47) TDP1SMN1; SMN2MAPTMAOBALOX15
SCHEMBL11382329 0.83 SLC6A4 (0.41) SMN1; SMN2TRPA1TRPV1GPR52GAA
SCHEMBL11777041 0.81 SMN1; SMN2 (0.49) TDP1SMN1; SMN2GPR52GAAMAPT
SCHEMBL11777039 0.81 SMN1; SMN2 (0.49) TDP1SMN1; SMN2GPR52GAAMAPT
SCHEMBL363987 0.78 CYP1A2 (0.45) TDP1SMN1; SMN2GPR52MAPTL3MBTL1
SCHEMBL22776005 0.78 HTR3E (0.46) MAPTL3MBTL1ALDH1A1MAOBALOX15
SCHEMBL7991942 0.78 TAAR1 (0.45) TRPA1TRPV1GPR52HTR2ATAAR1
SCHEMBL4860736 0.78 LPL (0.45) GAAMAPTL3MBTL1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1527165-A4 A RHODOCOCCUS GENE ENCODING ALDOXIME DEHYDRATASE DU PONT (US) 2006-06-07 EP claimed
EP-1527165-A2 A RHODOCOCCUS GENE ENCODING ALDOXIME DEHYDRATASE E.I. du Pont de Nemours and Company (US) 2005-05-04 EP claimed
US-20030215929-A1 Rhodococcus gene encoding aldoxime dehydratase E. I. DU PONT DE NEMOURS AND COMPANY 2003-11-20 US claimed
WO-2003078581-A2 A RHODOCOCCUS GENE ENCODING ALDOXIME DEHYDRATASE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-09-25 WO claimed
EP-1527165-A4 A RHODOCOCCUS GENE ENCODING ALDOXIME DEHYDRATASE DU PONT (US) 2006-06-07 EP disclosed
US-7057030-B2 Rhodococcus gene encoding aldoxime dehydratase E. I. DU PONT DE NEMOURS AND COMPANY (US) 2006-06-06 US disclosed
EP-1527165-A2 A RHODOCOCCUS GENE ENCODING ALDOXIME DEHYDRATASE E.I. du Pont de Nemours and Company (US) 2005-05-04 EP disclosed
US-20030215929-A1 Rhodococcus gene encoding aldoxime dehydratase E. I. DU PONT DE NEMOURS AND COMPANY 2003-11-20 US disclosed
WO-2003078581-A2 A RHODOCOCCUS GENE ENCODING ALDOXIME DEHYDRATASE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-09-25 WO disclosed