SCHEMBL7176705

SCHEMBL7176705

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TSHR P16473 2/20 0.50
GLA P06280 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
TP53 P04637 2/20 0.41
HTT P42858 1/20 0.39
MLYCD O95822 1/20 0.38
HPGD P15428 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL11404181 0.85 ALDH1A1 (0.55) ALDH1A1TSHRGLASMN1; SMN2KDM4E
SCHEMBL10951512 0.77 ALDH1A1 (0.61) ALDH1A1TSHRGLASMN1; SMN2KDM4E
SCHEMBL18765958 0.76 ALDH1A1 (0.66) ALDH1A1TSHRGLASMN1; SMN2KDM4E
SCHEMBL11248 0.74 ALDH1A1 (0.58) ALDH1A1TSHRGLASMN1; SMN2KDM4E
SCHEMBL4055696 0.73 ALDH1A1 (0.61) ALDH1A1TSHRGLASMN1; SMN2KDM4E
SCHEMBL7497334 0.73 ALDH1A1 (0.61) ALDH1A1TSHRGLASMN1; SMN2KDM4E
SCHEMBL11618038 0.73 ALDH1A1 (0.61) ALDH1A1TSHRGLASMN1; SMN2KDM4E
SCHEMBL340272 0.72 ALDH1A1 (0.70) ALDH1A1TSHRGLASMN1; SMN2MEN1
SCHEMBL9223060 0.72 ALDH1A1 (0.59) ALDH1A1TSHRGLASMN1; SMN2KDM4E
SCHEMBL28138502 0.72 TSHR (0.59) ALDH1A1TSHRGLASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1212767-C Fungicide compositions AVENT CROPSCIENCE S A (FR) 2005-08-03 CN disclosed
EP-1115288-B1 FUNGICIDE COMPOSITIONS BAYER CROPSCIENCE SA (FR) 2003-01-15 EP disclosed
CN-1328419-A Fungicidal compositions AVENTIS CROPSCIENCE SA (FR) 2001-12-26 CN disclosed
EP-1115288-A1 FUNGICIDE COMPOSITIONS AVENTIS CROPSCIENCE S.A. (FR) 2001-07-18 EP disclosed
WO-2000016629-A1 FUNGICIDE COMPOSITIONS AVENTIS CROPSCIENCE S.A. (FR) 2000-03-30 WO disclosed