SCHEMBL5571591

SCHEMBL5571591

CCOC(=O)C[C@@H](C)CCNC=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
ALDH1A1 P00352 3/20 0.36
ADH1B P00325 3/20 0.36
ADH1A P07327 3/20 0.36
ADH7 P40394 3/20 0.36
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 2/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CHRM1 P11229 1/20 0.36
ADORA1 P30542 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ADH1C P00326 2/20 0.34
TRPA1 O75762 1/20 0.34
FAAH O00519 1/20 0.34
KMT2A Q03164 2/20 0.33

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
SCHEMBL21866139 0.83 GAA (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5567613 0.83 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL18735901 0.81 MGAM (0.40) MGAMGAASIMGAM2ALDH1A1
SCHEMBL18736159 0.81 MGAM (0.40) MGAMGAASIMGAM2ALDH1A1
SCHEMBL25873789 0.81 GAA (0.45) MGAMGAASIMGAM2ALDH1A1
SCHEMBL7753856 0.81 MGAM (0.40) MGAMGAASIMGAM2ALDH1A1
SCHEMBL7420530 0.77 SLC15A1 (0.46) ALDH1A1L3MBTL1KMT2A
SCHEMBL6036647 0.77 BHMT (0.40) ALDH1A1ADH1BADH1AADH7ADH1C
SCHEMBL7952798 0.76 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5001444 0.76 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1819693-A1 ANTITHROMBOTIC DIAMIDES ELI LILLY AND COMPANY (US) 2007-08-22 EP disclosed
WO-2006057868-A1 ANTITHROMBOTIC DIAMIDES ELI LILLY AND COMPANY (US) 2006-06-01 WO disclosed