SCHEMBL6016802

SCHEMBL6016802

CCOC(=O)C(=O)NC(C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
EGLN1 Q9GZT9 1/20 0.50
MME P08473 1/20 0.42
ACE P12821 1/20 0.42
CPA1 P15085 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
TGFBR1 P36897 1/20 0.40
CYP2D6 P10635 1/20 0.39
GAA P10253 3/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
GPR35 Q9HC97 2/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL6016803 1.00 SMN1; SMN2 (0.50) SMN1; SMN2EGLN1MMEACECPA1
SCHEMBL27490039 0.86 SMN1; SMN2 (0.47) SMN1; SMN2EGLN1
SCHEMBL6016763 0.86 SMN1; SMN2 (0.47) SMN1; SMN2EGLN1
SCHEMBL10513380 0.83 TYR (0.44) SMN1; SMN2MMEACECPA1ACE2
SCHEMBL3551870 0.83 TYR (0.44) SMN1; SMN2MMEACECPA1ACE2
SCHEMBL753926 0.83 TYR (0.44) SMN1; SMN2MMEACECPA1ACE2
SCHEMBL28396955 0.82 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1TSHRMAPT
SCHEMBL28396958 0.82 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1TSHRMAPT
Hydrochloric Acid SCHEMBL28802170 0.82 TYR (0.43) SMN1; SMN2MMEACECPA1ACE2
Hydrochloric Acid SCHEMBL27346770 0.82 TYR (0.43) SMN1; SMN2MMEACECPA1ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109305946-A A kind of synthetic method of 4- methyl -5- ethyoxyl oxazole 湖北惠生药业有限公司 2019-02-05 CN disclosed
EP-1611084-A1 PROCESS FOR THE MANUFACTURE OF N-ALKOXALYL-ALANINATES DSM IP Assets B.V. (NL) 2006-01-04 EP disclosed
WO-2004087640-A1 PROCESS FOR THE MANUFACTURE OF N-ALKOXALYL-ALANINATES DSM IP ASSETS B.V. (NL) 2004-10-14 WO disclosed