SCHEMBL11528004

SCHEMBL11528004

CC(=O)C(C(N)=O)N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
MMP8 P22894 1/20 0.35
PKM P14618 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CYP3A4 P08684 2/20 0.33
HTT P42858 2/20 0.33
TSHR P16473 2/20 0.33
CYP2C19 P33261 1/20 0.33
CA12 O43570 1/20 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
SCHEMBL1586208 0.87 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL10505058 0.87 KDM4E (0.45) SMN1; SMN2KDM4EALDH1A1LMNAMAPT
SCHEMBL5824292 0.81 DPP7 (0.34) LMNAL3MBTL1CA12CA1CA9
SCHEMBL27471706 0.80 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EALDH1A1LMNAMAPT
SCHEMBL27852833 0.77 ALDH1A1 (0.44) SMN1; SMN2KDM4EALDH1A1LMNAMAPT
SCHEMBL2129974 0.75 AAK1 (0.42) SMN1; SMN2KDM4EALDH1A1LMNAMAPT
SCHEMBL2715770 0.75 AAK1 (0.42) SMN1; SMN2KDM4EALDH1A1LMNAMAPT
SCHEMBL18171831 0.74 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
Water SCHEMBL29947214 0.73 AAK1 (0.41) SMN1; SMN2KDM4EALDH1A1LMNAMAPT
Water SCHEMBL29902298 0.73 AAK1 (0.41) SMN1; SMN2KDM4EALDH1A1LMNAMAPT

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
US-4179557-A Acylation of 7-aminocephalosporanic acids PRESIDENT OF OSAKA UNIVERSITY (JP) 1979-12-18 US disclosed
US-4123611-A N-protected amino compounds PRESIDENT OF OSAKA UNIVERSITY (JP) 1978-10-31 US disclosed