SCHEMBL29036873

SCHEMBL29036873

CCOC(=O)C1CCC=N1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.38
PTPN1 P18031 1/20 0.38
PPP1CC P36873 1/20 0.38
ALDH1A1 P00352 5/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL8880070 0.72
SCHEMBL25751563 0.71 ALDH1A1 (0.43) ALDH1A1MAPTMEN1GAAKMT2A
SCHEMBL2293450 0.70 ALDH1A1 (0.41) PPM1BPTPN1PPP1CCALDH1A1HSD17B10
SCHEMBL17870979 0.70 ALDH1A1 (0.41) PPM1BPTPN1PPP1CCALDH1A1HSD17B10
SCHEMBL10583401 0.69 MAPT (0.35) ALDH1A1HSD17B10MAPTKDM4EMEN1
SCHEMBL31429550 0.69 PPM1B (0.37) PPM1BPTPN1PPP1CCALDH1A1HSD17B10
SCHEMBL8833135 0.69 PPM1B (0.37) PPM1BPTPN1PPP1CCALDH1A1HSD17B10
SCHEMBL11681662 0.69 ALDH1A1 (0.44) PPM1BPTPN1PPP1CCALDH1A1HSD17B10
SCHEMBL18382542 0.69
SCHEMBL1200456 0.68 ALDH1A1 (0.50) PPM1BPTPN1PPP1CCALDH1A1HSD17B10

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
CN-110312712-B Nitrone herbicide FMC公司 2023-06-23 CN disclosed