SCHEMBL8412008

SCHEMBL8412008

C[C@@H](N)CCNCCCCOC(=O)NCC(=O)NCCCCCCNC=NN

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.37
ACHE P22303 12/20 0.36

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
SCHEMBL8778919 0.86 FAAH (0.36) EPHX2ACHE
SCHEMBL8778905 0.86 FAAH (0.36) EPHX2ACHE
SCHEMBL8778931 0.86 FAAH (0.36) EPHX2ACHE
SCHEMBL8412139 0.86 EPHX2 (0.38) EPHX2ACHE
SCHEMBL15124103 0.86 EPHX2 (0.33) EPHX2
SCHEMBL524547 0.86 EPHX2 (0.33) EPHX2
SCHEMBL8565370 0.86 EPHX2 (0.36) EPHX2ACHE
SCHEMBL8653255 0.85 HDAC3 (0.38) EPHX2
SCHEMBL8778900 0.84 HDAC3 (0.33)
SCHEMBL526030 0.84 HDAC3 (0.33)

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-0743300-B1 15-Deoxyspergualine-related compounds, process for their preparation and their application in therapy FOURNIER IND & SANTE (FR) 1999-08-04 EP disclosed
EP-0743300-A1 15-Deoxyspergualine-related compounds, process for their preparation and their application in therapy FOURNIER INDUSTRIE ET SANTE (FR) 1996-11-20 EP disclosed