SCHEMBL1552386

SCHEMBL1552386

Nc1ccc(OC(=O)O)c(OC(=O)O)c1OC(=O)O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GFER P55789 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
USP2 O75604 2/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
PKM P14618 1/20 0.31
APEX1 P27695 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
MCL1 Q07820 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GABRP O00591 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
SCHEMBL1039198 0.87 MAPK1 (0.36) KMT2AKDM4EALDH1A1MAPTBLM
SCHEMBL1551337 0.83 GABRP (0.33) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL1552057 0.82 MAPK1 (0.41) KMT2AKDM4EALDH1A1LMNAUSP2
SCHEMBL4873463 0.76 MAPK1 (0.33) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL10447724 0.76 MMP2 (0.43) KMT2AKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL8723622 0.74 MAPK1 (0.32) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL1728306 0.73 MAPK1 (0.47) KMT2AKDM4EALDH1A1USP2MEN1
SCHEMBL9354051 0.72 KDM4E (0.32) KMT2AKDM4EMEN1MAPTTDP1
Water SCHEMBL2704404 0.71 MAPK1 (0.46) KMT2AKDM4EALDH1A1USP2MEN1
SCHEMBL376800 0.71 ALDH1A1 (0.52) KMT2AKDM4EALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1994133-B1 COLOUR-PROTECTING LAUNDRY DETERGENT COMPOSITION HENKEL AG & CO KGAA (DE) 2011-04-27 EP disclosed
EP-1994133-A1 COLOUR-PROTECTING LAUNDRY DETERGENT COMPOSITION Henkel AG & Co. KGaA (DE) 2008-11-26 EP disclosed
WO-2007104392-A1 COLOUR-PROTECTING LAUNDRY DETERGENT COMPOSITION HENKEL AG & CO. KGAA (DE) 2007-09-20 WO disclosed