SCHEMBL11340635

SCHEMBL11340635

O=P(Cl)(OC1CCCCC1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
ACHE P22303 1/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
FABP7 O15540 1/20 0.36
FABP5 Q01469 1/20 0.36
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA5A P35218 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
FAAH O00519 1/20 0.33
MGLL Q99685 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
SCHEMBL11340663 0.98 NPSR1 (0.42) NPSR1MEN1KMT2ALMNAACHE
SCHEMBL779674 0.81 L3MBTL1 (0.44) NPSR1MEN1KMT2ALMNAACHE
SCHEMBL779638 0.81 MEN1 (0.43) NPSR1MEN1KMT2ALMNAACHE
SCHEMBL779700 0.79 ACHE (0.46) NPSR1MEN1KMT2ALMNAACHE
SCHEMBL5420537 0.79 NPSR1 (0.44) NPSR1MEN1KMT2ALMNAACHE
SCHEMBL779210 0.77 NPSR1 (0.40) NPSR1MEN1KMT2ALMNAACHE
SCHEMBL29196552 0.75 NPSR1 (0.38) NPSR1MEN1KMT2ALMNAACHE
SCHEMBL779274 0.75 ALOX15 (0.41) NPSR1MEN1KMT2ALMNAACHE
SCHEMBL778323 0.75 MEN1 (0.39) NPSR1MEN1KMT2ALMNAACHE
SCHEMBL20965616 0.72 ALOX15 (0.39) NPSR1MEN1KMT2ALMNAACHE

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-4301280-A Preparation of 3-substituted cephalosporins LILLY INDUSTRIES LIMITED (GB) 1981-11-17 US disclosed
EP-0019401-A1 Process for preparing enamine derivatives, compounds so produced and process for preparing a 3-hydroxy-cephalosporin Lilly Industries Limited (GB) 1980-11-26 EP disclosed