SCHEMBL11601068

SCHEMBL11601068

C=CCN(COC)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MAPT P10636 1/20 0.37
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HCAR2 Q8TDS4 1/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
ALOX5 P09917 1/20 0.31
KCNH2 Q12809 1/20 0.31
POLB P06746 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL7023419 0.87 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2AHCAR2
Methyl Alcohol SCHEMBL11376423 0.85 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2AHCAR2
SCHEMBL649921 0.80 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2AHCAR2
SCHEMBL29021084 0.80 ALDH1A1 (0.42) ALDH1A1MAPTHCAR2LMNASMN1; SMN2
SCHEMBL9473559 0.79 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2AHCAR2
SCHEMBL1077649 0.79 ALDH1A1 (0.46) ALDH1A1MAPTHCAR2LMNASMN1; SMN2
SCHEMBL8741042 0.78 ALDH1A1 (0.38) ALDH1A1MAPTMEN1KMT2AHCAR2
SCHEMBL9702281 0.77 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL17060725 0.76 ALDH1A1 (0.43) ALDH1A1MAPTHCAR2
SCHEMBL7524699 0.76 DPP4 (0.50) ALDH1A1MAPTMEN1KMT2AHCAR2

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
US-4100143-A Filaments which may be cross-linked comprising at least 65% acrylonitrile and 0.5-10% N-methylol derivative of a urethane BAYER AKTIENGESELLSCHAFT (DE) 1978-07-11 US disclosed