SCHEMBL6889701

SCHEMBL6889701

O=C(O)c1cccc(N2C(=O)C=CC2=O)c1N1C(=O)CCC1=O.O=C1C=CC(=O)N1CC1CCC(C(=O)O)(N2C(=O)CCC2=O)CC1.O=C1C=CC(=O)N1COCN1C(=O)C=CC1=O.O=C1C=CC(=O)N1c1ccccc1N1C(=O)C=CC1=O

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
HSP90AA1 P07900 1/20 0.31
PKM P14618 1/20 0.31
CCR6 P51684 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TLR9 Q9NR96 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL7721992 0.79 ALDH1A1 (0.33) ALDH1A1HSP90AA1PKMCCR6ATM
SCHEMBL15969015 0.77 PSEN1 (0.31)
SCHEMBL342325 0.77 PSEN1 (0.31)
SCHEMBL4901236 0.74 TLR9 (0.49) ALDH1A1HSP90AA1PKMCCR6ATM
SCHEMBL2511023 0.72
SCHEMBL28755352 0.69 TLR9 (0.45) ALDH1A1HSP90AA1PKMCCR6ATM
SCHEMBL28933685 0.69 ALDH1A1 (0.43) ALDH1A1
SCHEMBL2431617 0.67 MGLL (0.30)
SCHEMBL21628076 0.67
SCHEMBL2368119 0.67 PTGS1 (0.34) ALDH1A1HSP90AA1PKMNPSR1TLR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6783938-B2 SOLID SUPPORT FOR USE IN THE DETECTION OF PREFERENTIAL NUCLEOTIDE SEQUENCES BIOSTAR, INC. 2004-08-31 US disclosed
US-6355429-B1 PROVIDING OPTICALLY ACTIVE SOLID SUPPORTS USED FOR NUCLEIC ACID HYBRIDIZATION ANALYSIS; BY IMMOBILIZING PROBES TO A LIGHT-REFLECTING SURFACE, HYBRIDIZING TARGET NUCLEIC ACID TO PROBES, DETECT INCREASE IN MASS DUE TO REFLECTIVE PROPERTIES THERMO BIOSTAR INC. 2002-03-12 US disclosed