SCHEMBL8404241

SCHEMBL8404241

CCCCCCCCCCCCCOC(=O)N[C@@H](CN[C@H]1CCO[C@H]1OC(C)=O)CC(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.38
CAPNS1 P04632 1/20 0.37
EPHX1 P07099 1/20 0.34
ACHE P22303 6/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
PLA2G10 O15496 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NAAA Q02083 2/20 0.32

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
SCHEMBL8408035 1.00 CAPN1 (0.38) CAPN1CAPNS1EPHX1ACHESMN1; SMN2
SCHEMBL8404294 1.00 CAPN1 (0.38) CAPN1CAPNS1EPHX1ACHESMN1; SMN2
SCHEMBL8407590 0.86 EPHX1 (0.37) CAPN1EPHX1ACHESMN1; SMN2GAA
SCHEMBL8408073 0.86 EPHX1 (0.37) CAPN1EPHX1ACHESMN1; SMN2GAA
SCHEMBL8407659 0.86 EPHX1 (0.37) CAPN1EPHX1ACHESMN1; SMN2GAA
SCHEMBL8404239 0.84 CAPN1 (0.49) CAPN1CAPNS1
SCHEMBL8404293 0.84 CAPN1 (0.49) CAPN1CAPNS1
SCHEMBL8404243 0.84 CAPN1 (0.49) CAPN1CAPNS1
SCHEMBL8408037 0.84 CAPN1 (0.49) CAPN1CAPNS1
SCHEMBL8404295 0.84 CAPN1 (0.49) CAPN1CAPNS1

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