SCHEMBL22175642

SCHEMBL22175642

C=CCOC(=O)CNCCCNC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
CA1 P00915 7/20 0.43
CA2 P00918 7/20 0.43
CA12 O43570 6/20 0.43
CA9 Q16790 6/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.37
STK17B O94768 1/20 0.37
STK17A Q9UEE5 1/20 0.37
EPHX1 P07099 1/20 0.35
HTT P42858 1/20 0.34
EPHX2 P34913 1/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
CTSK P43235 1/20 0.34

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
SCHEMBL7154752 0.92 MAOA (0.47) MAOAMAOBTDP1MEN1GAA
SCHEMBL1276827 0.86 TDP1 (0.54) MAOAMAOBTDP1MEN1GAA
SCHEMBL5136229 0.85 SMN1; SMN2 (0.50) MAOAMAOBTDP1MEN1GAA
SCHEMBL18747980 0.83 MAOA (0.43) MAOAMAOBTDP1MEN1GAA
SCHEMBL2459761 0.83 MAOA (0.60) MAOAMAOBTDP1MEN1GAA
SCHEMBL22175551 0.82 TSHR (0.55) MAOAMAOBTDP1MEN1GAA
SCHEMBL21738506 0.81 SMN1; SMN2 (0.47) MAOAMAOBTDP1MEN1GAA
Bromide SCHEMBL25375155 0.81 MAOA (0.65) MAOAMAOBTDP1MEN1GAA
SCHEMBL22381487 0.80 MAOA (0.64) MAOAMAOBTDP1MEN1GAA
SCHEMBL13471245 0.80 SMN1; SMN2 (0.46) MAOAMAOBTDP1MEN1GAA

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-4257152-A2 APELIN POLYPEPTIDES Amgen Inc. (US) 2023-10-11 EP disclosed
EP-3674314-A2 APELIN POLYPEPTIDES Amgen, Inc (US) 2020-07-01 EP disclosed