SCHEMBL11404181

SCHEMBL11404181

CCN(C(=O)C(C)OC(N)=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 1/20 0.55
TSHR P16473 2/20 0.53
GLA P06280 1/20 0.53
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
TP53 P04637 2/20 0.43
HTT P42858 1/20 0.40
GHSR Q92847 1/20 0.40
MLYCD O95822 1/20 0.40
HPGD P15428 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL7176705 0.85 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KDM4ETSHRGLA
SCHEMBL11248 0.83 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2KDM4ETSHRGLA
SCHEMBL10951512 0.79 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2KDM4ETSHRGLA
SCHEMBL18765958 0.79 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2KDM4ETSHRGLA
SCHEMBL10344646 0.78 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL11618038 0.76 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2KDM4ETSHRGLA
SCHEMBL4055696 0.76 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2KDM4ETSHRGLA
SCHEMBL7497334 0.76 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2KDM4ETSHRGLA
SCHEMBL10918789 0.75 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KDM4ETSHRGLA
SCHEMBL340272 0.75 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2TSHRGLAMEN1

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-0041298-A2 Composition for inhibiting or preventing the development of suckers in tobacco plants DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1981-12-09 EP disclosed