SCHEMBL9017339

SCHEMBL9017339

N=C(N)NCCCCCCCCNC(=O)COC(=O)NCCCCNCCCN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.40
MEN1 O00255 2/20 0.40
CYP1A2 P05177 2/20 0.40
KMT2A Q03164 2/20 0.40
PAOX Q6QHF9 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
CA5A P35218 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA5B Q9Y2D0 2/20 0.39
CA1 P00915 1/20 0.39
CA3 P07451 1/20 0.39
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
ALOX15 P16050 2/20 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
Tresperimus SCHEMBL385624 1.00 FAAH (0.40) FAAHMEN1CYP1A2KMT2APAOX
Tresperimus SCHEMBL9173994 0.92 HDAC6 (0.43) FAAHMEN1CYP1A2KMT2APAOX
Trifluoroacetic Acid SCHEMBL9178492 0.92 HDAC6 (0.43) FAAHMEN1CYP1A2KMT2APAOX
SCHEMBL13197478 0.86 PAOX (0.38) MEN1CYP1A2KMT2APAOXSMN1; SMN2
SCHEMBL525137 0.84 PAOX (0.47) MEN1CYP1A2KMT2APAOXSMN1; SMN2
SCHEMBL524786 0.84 PAOX (0.47) MEN1CYP1A2KMT2APAOXSMN1; SMN2
Anisperimus SCHEMBL8778912 0.83 FAAH (0.39) FAAHMEN1CYP1A2KMT2ASMN1; SMN2
Anisperimus SCHEMBL8778920 0.83 FAAH (0.39) FAAHMEN1CYP1A2KMT2ASMN1; SMN2
Anisperimus SCHEMBL8778901 0.83 FAAH (0.39) FAAHMEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL8412131 0.83 ACHE (0.40) PAOXCA12CA2CA4CA6

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-0600762-B1 Analogues of the 15-deoxyspergualine, process for their preparation and their use as immunosuppresants FOURNIER IND & SANTE (FR) 1996-07-10 EP disclosed
EP-0600762-A1 Analogues of the 15-deoxyspergualine, process for their preparation and their use as immunosuppresants FOURNIER INDUSTRIE ET SANTE (FR) 1994-06-08 EP disclosed