SCHEMBL11501324

SCHEMBL11501324

CCCCCNC1CN(C(C(=O)O)C(C)C)C1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
MAN2B1 O00754 1/20 0.33
NAAA Q02083 3/20 0.32
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
CCR2 P41597 1/20 0.32
TP53 P04637 1/20 0.32
ASAH1 Q13510 1/20 0.32

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
SCHEMBL11036202 0.81 ACE (0.36) ACEMEN1KMT2AMAN2B1S1PR4
SCHEMBL11036205 0.72 MAN2B1 (0.35) MAN2B1NAAA
SCHEMBL9800800 0.72 MAN2B1 (0.39) MAN2B1NAAAS1PR4S1PR1S1PR3
SCHEMBL9800830 0.70 NAAA (0.34) MAN2B1NAAA
SCHEMBL10678300 0.69 MAN2B1 (0.36) MAN2B1NAAAS1PR4S1PR1S1PR3
SCHEMBL22128248 0.69 RAB9A (0.36) ACE
SCHEMBL22128246 0.69 RAB9A (0.36) ACE
SCHEMBL11237700 0.69 MAN2B1 (0.36) MAN2B1NAAAS1PR4S1PR1S1PR3
SCHEMBL9800835 0.69 FAAH (0.35) MAN2B1NAAA
SCHEMBL22155675 0.68 ITGB3 (0.35) ACE

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-4195021-A 1,3-Disubstituted 2-azetidinone antibitotics ELI LILLY AND COMPANY (US) 1980-03-25 US disclosed
EP-0001715-A2 Azetidinone antibiotics and their pharmaceutical formulations and use ELI LILLY AND COMPANY (US) 1979-05-02 EP disclosed