SCHEMBL8787239

SCHEMBL8787239

NC(CSSC[C@H](NC(=O)c1ccccc1)C(=O)O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.49
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
KIF11 P52732 5/20 0.46
DNMT1 P26358 1/20 0.46
CA2 P00918 8/20 0.45
CA1 P00915 4/20 0.45
ACE P12821 2/20 0.45
PTPN1 P18031 1/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43

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
SCHEMBL6411060 0.91 ACE (0.51) SLC1A2CA2CA1ACEPTPN1
SCHEMBL1768156 0.91 ACE (0.51) SLC1A2CA2CA1ACEPTPN1
SCHEMBL2419579 0.91 ACE (0.51) SLC1A2CA2CA1ACEPTPN1
SCHEMBL27797100 0.83 KDM4E (0.48) FNTAFNTBKIF11DNMT1
SCHEMBL27797105 0.83 KDM4E (0.48) FNTAFNTBKIF11DNMT1
SCHEMBL27885367 0.81 SLC1A2 (0.54) SLC1A2CA2CA1ACEPTPN1
SCHEMBL27885368 0.81 SLC1A2 (0.54) SLC1A2CA2CA1ACEPTPN1
SCHEMBL14671218 0.80 CNR2 (0.48) FNTAFNTBKIF11ITGB3ITGA2B
SCHEMBL14671279 0.80 ACE (0.55) FNTAFNTBCA2CA1ACE
SCHEMBL4954825 0.80 FNTA (0.54) FNTAFNTBCA2CA1ACE

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
EP-0587194-B1 2-(Heterocycloalkoxy)-1-(subst.-phenyl)-ethanol derivatives as cerebral function improving agents TOYAMA CHEMICAL CO LTD (JP) 1997-06-04 EP disclosed
EP-0589484-A1 1,2-Ethanediol derivative and salt thereof, process for producing the same, and cerebral function-improving agent comprising the same TOYAMA CHEMICAL CO., LTD. (JP) 1994-03-30 EP disclosed
EP-0587194-A1 2-(Heterocycloalkoxy)-1-(subst.-phenyl)-ethanol derivatives as cerebral function improving agents TOYAMA CHEMICAL CO., LTD. (JP) 1994-03-16 EP disclosed
EP-0587193-A1 1,2-Ethanediol derivative and salt thereof, process for producing the same, and cerebral function-improving agent comprising the same TOYAMA CHEMICAL CO., LTD. (JP) 1994-03-16 EP disclosed
EP-0383281-A1 1,2-ethanediol derivative and salt thereof, process for producing the same, and cerebral function-improving agent comprising the same TOYAMA CHEMICAL CO., LTD. (JP) 1990-08-22 EP disclosed