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Sugi Predict / Compounds / SCHEMBL8408073

SCHEMBL8408073

SCHEMBL8408073

CCCCCCCCCCCCCCOC(=O)N[C@@H](CN[C@H]1CCOC1O)CC(C)C

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.37
▸ CAPN1 P07384 7/20 0.37
▸ ACHE P22303 6/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL8407590 1.00 EPHX1 (0.37) EPHX1CAPN1ACHEGAAMAPK1
SCHEMBL8407659 1.00 EPHX1 (0.37) EPHX1CAPN1ACHEGAAMAPK1
SCHEMBL8408035 0.86 CAPN1 (0.38) EPHX1CAPN1ACHEGAAMAPK1
SCHEMBL8404294 0.86 CAPN1 (0.38) EPHX1CAPN1ACHEGAAMAPK1
SCHEMBL8404241 0.86 CAPN1 (0.38) EPHX1CAPN1ACHEGAAMAPK1
SCHEMBL8810844 0.84 SMN1; SMN2 (0.39) CAPN1SMN1; SMN2
SCHEMBL8407656 0.83 CAPN1 (0.52) CAPN1
SCHEMBL8408074 0.83 CAPN1 (0.52) CAPN1
SCHEMBL8407595 0.83 CAPN1 (0.52) CAPN1
SCHEMBL8407586 0.83 CAPN1 (0.52) CAPN1

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-0925786-A1 REMEDIES FOR ISCHEMIC DISEASES MITSUBISHI CHEMICAL CORPORATION (JP) 1999-06-30 — — EP claimed
EP-0925786-A1 REMEDIES FOR ISCHEMIC DISEASES MITSUBISHI CHEMICAL CORPORATION (JP) 1999-06-30 — — EP disclosed