SCHEMBL16213690

SCHEMBL16213690

CCOC(=O)CCNCCC(C)OCC

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
KMT2A Q03164 3/20 0.40
POLB P06746 1/20 0.40
LTA4H P09960 2/20 0.39
CYP1A2 P05177 1/20 0.38
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL14241233 0.85 L3MBTL1 (0.42) L3MBTL1MGAMGAASIMGAM2
SCHEMBL11191203 0.84 MGAM (0.45) L3MBTL1MGAMGAASIMGAM2
SCHEMBL18256402 0.82 L3MBTL1 (0.49) L3MBTL1MGAMGAASIMGAM2
SCHEMBL4464939 0.82 GAA (0.59) L3MBTL1MGAMGAASIMGAM2
SCHEMBL13756031 0.80 GAA (0.56) L3MBTL1MGAMGAASIMGAM2
Hydrochloric Acid SCHEMBL11851530 0.80 GAA (0.56) L3MBTL1MGAMGAASIMGAM2
SCHEMBL21784314 0.78 LTA4H (0.43) L3MBTL1MGAMGAASIMGAM2
SCHEMBL19102485 0.76 GAA (0.52) L3MBTL1MGAMGAASIMGAM2
SCHEMBL20937509 0.76 LTA4H (0.52) MGAMGAASIMGAM2KMT2A
SCHEMBL8851605 0.76 GAA (0.52) L3MBTL1MGAMGAASIMGAM2

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-8877774-B2 Compounds having muscarinic receptor antagonist and beta2 Adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2014-11-04 US disclosed