SCHEMBL4667225

SCHEMBL4667225

COc1cc(NC(=O)O)c(O)cc1NCCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
KDM4E B2RXH2 3/20 0.39
GLA P06280 1/20 0.39
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 3/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90B1 P14625 1/20 0.37
KCNMA1 Q12791 1/20 0.37
MAPK1 P28482 1/20 0.37
AHR P35869 1/20 0.37
ALDH1A1 P00352 4/20 0.37
GAA P10253 3/20 0.37
NFKB1 P19838 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37

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
SCHEMBL7251136 0.89 HTT (0.42) TSHRKDM4EGLACASP3SENP8
SCHEMBL4669924 0.87 KDM4E (0.41) KDM4EGLACASP3SENP8SENP7
SCHEMBL7254543 0.87 RECQL (0.47) TSHRKDM4ESMN1; SMN2MAPTHSP90AA1
SCHEMBL4668106 0.86 ALDH1A1 (0.43) KDM4EGLAMAPTALDH1A1GAA
SCHEMBL4668080 0.86 KDM4E (0.38) KDM4EGLACASP3SENP8SENP7
SCHEMBL4668875 0.85 PTK2 (0.37) KDM4EGLACASP3SENP8SENP7
SCHEMBL7256864 0.84 L3MBTL1 (0.46) TSHRKDM4EGLACASP3SENP8
SCHEMBL4668120 0.84 MEN1 (0.53) KDM4EGLAMAPTMAPK1ALDH1A1
SCHEMBL7250882 0.83 HPGD (0.39) TSHRKDM4EGLACASP3SENP8
SCHEMBL4669206 0.83 NPSR1 (0.40) KDM4EGLACASP3SENP8SENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1129689-B1 Keratinous fiber dyeing composition comprising N-(2-hydroxybenzene)-carbamate or N-(2-hydroxybenzene)urea derivatives as coupling agents and process for dyeing OREAL (FR) 2008-07-09 EP claimed