SCHEMBL4667229

SCHEMBL4667229

COc1cc(N(O)C(=O)O)ccc1NCCO

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 3/20 0.38
TSHR P16473 2/20 0.38
GBA1 P04062 1/20 0.37
HTT P42858 1/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 1/20 0.36

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
SCHEMBL4668038 0.81 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL4668704 0.79 ALDH1A1 (0.40) ALDH1A1KDM4EGLAMAPTSMN1; SMN2
SCHEMBL18033022 0.77 CA12 (0.56) MAPTRAB9ATSHRHTT
SCHEMBL2434485 0.76 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTSMN1; SMN2TDP1
SCHEMBL4667302 0.72 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTSMN1; SMN2TDP1
SCHEMBL9499966 0.72 GAA (0.47) ALDH1A1KDM4EGLAMAPTNPC1
SCHEMBL13181209 0.71 TNF (0.42) ALDH1A1KDM4EGLATDP1TSHR
SCHEMBL4668742 0.71 RORC (0.39) ALDH1A1KDM4EGLAMAPTNPC1
SCHEMBL454595 0.70 TNF (0.44) ALDH1A1KDM4EGLAMAPTTDP1
SCHEMBL7274350 0.70 ALOX5 (0.48) MAPTKMT2A

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