SCHEMBL20522203

SCHEMBL20522203

O=C(O)C(Cc1ccc(O)c(O)c1)NC(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
KDM6B O15054 1/20 0.46
LCK P06239 2/20 0.45
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
EGFR P00533 1/20 0.45
FYN P06241 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
ALOX15 P16050 1/20 0.45
PTGS1 P23219 1/20 0.45
HTR2A P28223 1/20 0.45
PTGS2 P35354 1/20 0.45
RECQL P46063 1/20 0.45
SLC7A5 Q01650 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ERCC1 P07992 3/20 0.43
ERCC4 Q92889 3/20 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
SCHEMBL20856986 0.86 MME (0.48) CA1CA2MMEACEACE2
SCHEMBL29532926 0.78 KDM6B (0.54) CA1CA2KDM6BLCKKDM4E
SCHEMBL594168 0.77 GSR (0.44) CA1CA2KDM4EMME
SCHEMBL27856845 0.76 MME (0.41) CA1CA2MME
SCHEMBL27856850 0.76 MME (0.41) CA1CA2MME
SCHEMBL4088190 0.76 MME (0.41) CA1CA2MME
Nitric Acid SCHEMBL3652570 0.76 KDM6B (0.51) CA1CA2KDM6BLCKKDM4E
SCHEMBL21090091 0.74 KDM6B (0.57) CA1CA2KDM6BLCKKDM4E
SCHEMBL22957012 0.74 KDM6B (0.57) CA1CA2KDM6BLCKKDM4E
SCHEMBL11575407 0.74 KDM6B (0.57) CA1CA2KDM6BLCKKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3601323-A1 MODIFIED MUSSEL PROTEINS, USES THEREOF AND RELATED COMPOUNDS Technische Universität Berlin (DE) 2020-02-05 EP claimed
WO-2018178013-A1 MODIFIED MUSSEL PROTEINS, USES THEREOF AND RELATED COMPOUNDS Technische Universität Berlin (DE) 2018-10-04 WO claimed
EP-3601323-A1 MODIFIED MUSSEL PROTEINS, USES THEREOF AND RELATED COMPOUNDS Technische Universität Berlin (DE) 2020-02-05 EP disclosed
WO-2018178013-A1 MODIFIED MUSSEL PROTEINS, USES THEREOF AND RELATED COMPOUNDS Technische Universität Berlin (DE) 2018-10-04 WO disclosed