SCHEMBL7758607

SCHEMBL7758607

CC(=O)OC1CC(=O)N(SC(=O)c2ccccc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
TSHR P16473 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 1/20 0.38
MT-CO2 P00403 2/20 0.35
ALOX5 P09917 2/20 0.35
ALDH1A1 P00352 1/20 0.34
SLC18A3 Q16572 1/20 0.34
PKM P14618 1/20 0.33

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
SCHEMBL11048580 0.74 MT-CO2 (0.57) KDM4ESMN1; SMN2MT-CO2ALOX5ALDH1A1
SCHEMBL9636719 0.71 ALDH1A1 (0.55) KDM4ETSHRSMN1; SMN2KMT2AMT-CO2
SCHEMBL3593084 0.71 ALDH1A1 (0.55) KDM4ETSHRSMN1; SMN2KMT2AMT-CO2
SCHEMBL20503163 0.71 KMT2A (0.41) TSHRSMN1; SMN2KMT2AALDH1A1PKM
SCHEMBL3563708 0.69 ALDH1A1 (0.43) ALDH1A1
SCHEMBL24223726 0.69 ALDH1A1 (0.49) TSHRKMT2AALDH1A1
SCHEMBL8080652 0.68 POLB (0.37) TSHRKMT2AALOX5
SCHEMBL3562356 0.68 POLB (0.37) TSHRKMT2AALOX5
SCHEMBL7099567 0.67 KMT2A (0.43) TSHRKMT2AALDH1A1SLC18A3
SCHEMBL8088848 0.66 POLB (0.36) TSHRKMT2AALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0642357-B1 RADIOLABELLED SOMATOSTATIN MALLINCKRODT INC (US) 2001-07-25 EP disclosed
EP-1099693-A1 Radiolabelled peptide compounds MALLINCKRODT INC. (US) 2001-05-16 EP disclosed
US-5656253-A Ligands useful in radiographic imaging MALLINCKRODT MEDICAL, INC. (US) 1997-08-12 US disclosed
EP-0642357-A4 RADIOLABELLED PEPTIDE COMPOUNDS. 1995-04-05 EP disclosed
EP-0642357-A1 RADIOLABELLED PEPTIDE COMPOUNDS MALLINCKRODT MEDICAL, INC. (US) 1995-03-15 EP disclosed
WO-1993015770-A1 RADIOLABELLED PEPTIDE COMPOUNDS MALLINCKRODT MEDICAL, INC. (US) 1993-08-19 WO disclosed