SCHEMBL8845474

SCHEMBL8845474

C[C@H](Nc1ccc(O)c(-c2cc(N[C@@H](C)C(=O)O)ccc2O)c1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.38
KDM4D Q6B0I6 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
KDM3A Q9Y4C1 1/20 0.38
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
TSHR P16473 1/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 3/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL29715211 0.87 KDM4E (0.43) CA1CA2CA12CA9CA14
SCHEMBL4873009 0.87 KDM4E (0.43) CA1CA2CA12CA9CA14
SCHEMBL242556 0.87 KDM4E (0.43) CA1CA2CA12CA9CA14
SCHEMBL242555 0.87 KDM4E (0.43) CA1CA2CA12CA9CA14
SCHEMBL16269615 0.87 KDM4E (0.43) CA1CA2CA12CA9CA14
Methane SCHEMBL10504286 0.86 KDM4E (0.42) CA1CA2CA12CA9CA14
SCHEMBL1226636 0.83 KDM4C (0.50) KDM4CCA1CA2CA12CA9
SCHEMBL27486347 0.83 MAPT (0.49) CA1CA2CA12CA9CA14
SCHEMBL24276931 0.82 MEN1 (0.51) MEN1MAPTKMT2AALDH1A1
SCHEMBL9413247 0.80 TSHR (0.53) CA1CA2CA12CA9CA14

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
US-5625081-A XANTHENE DYE DERIVATIVES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-04-29 US disclosed
US-5608063-A Method, system and reagents for DNA sequencing E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-03-04 US disclosed
US-5558991-A DNA sequencing method using acyclonucleoside triphosphates E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-09-24 US disclosed
EP-0309969-B1 Method of gene mapping DU PONT (US) 1995-07-19 EP disclosed
EP-0252683-B1 Process and reagents for DNA sequence analysis DU PONT (US) 1995-01-18 EP disclosed
US-5332666-A Reporter-labeled chain terminator reacted with DNA nucleotides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-07-26 US disclosed
US-5306618-A Using xanthene dye reporter labeled DNA fragments E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-04-26 US disclosed
US-5242796-A Fluorescent xanthene dye E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-09-07 US disclosed
EP-0185547-B1 POLYNUCLEOTIDE HYBRIDIZATION ASSAYS EMPLOYING CATALYZED LUMINESCENCE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-03 EP disclosed
US-5102785-A Cleaving to produce DNA fragment which are then end labeled with reporter, again cleaved to produce short fragment, separatiion; analysis E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-04-07 US disclosed
EP-0309969-A2 Method of gene mapping E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-04-05 EP disclosed
US-4670379-A Polynucleotide hydridization assays employing catalyzed luminescence E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-06-02 US disclosed
EP-0185547-A2 Polynucleotide hybridization assays employing catalyzed luminescence E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-06-25 EP disclosed