SCHEMBL11299800

SCHEMBL11299800

CC(C)Oc1ccccc1OC(=O)N(C)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
ACHE P22303 1/20 0.58
IRAK4 Q9NWZ3 2/20 0.53
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 1/20 0.41
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
SLC9A1 P19634 1/20 0.39
HDAC4 P56524 1/20 0.38
NCEH1 Q6PIU2 2/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 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
SCHEMBL11702207 0.90 ALDH1A1 (0.65) ALDH1A1ACHEIRAK4KDM4ELMNA
SCHEMBL11701228 0.84 ALDH1A1 (0.58) ALDH1A1ACHEIRAK4KDM4ELMNA
SCHEMBL10574854 0.83 ALDH1A1 (0.65) ALDH1A1ACHEIRAK4KDM4ELMNA
SCHEMBL11701779 0.83 ALDH1A1 (0.56) ALDH1A1ACHEIRAK4KDM4ELMNA
SCHEMBL7197762 0.82 ALDH1A1 (0.55) ALDH1A1ACHEIRAK4KDM4ELMNA
SCHEMBL27327068 0.80 ALDH1A1 (0.64) ALDH1A1ACHEIRAK4KDM4ELMNA
SCHEMBL11702320 0.77 ALDH1A1 (0.50) ALDH1A1ACHEIRAK4KDM4ELMNA
SCHEMBL11286422 0.77 ALDH1A1 (0.56) ALDH1A1ACHEIRAK4KDM4ELMNA
SCHEMBL11192131 0.77 ALDH1A1 (0.56) ALDH1A1ACHEIRAK4KDM4ELMNA
SCHEMBL594455 0.75 ALDH1A1 (0.58) ALDH1A1KDM4ELMNATDP1KMT2A

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-0067533-A1 Process of spray micro-encapsulation and composition for use therein ENVIRONMENTAL CHEMICALS, INC. (US) 1982-12-22 EP disclosed