SCHEMBL19391018

SCHEMBL19391018

C=C(NCCC(C)CO)C(CC(C)C)NC(=O)C1CO1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 13/20 0.40
▸ CAPN9 O14815 3/20 0.40
▸ CTSB P07858 3/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CTSL P07711 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CTSG P08311 1/20 0.37
▸ GRN P28799 1/20 0.34
▸ SORT1 Q99523 1/20 0.34
▸ CTSH P09668 1/20 0.30
▸ CTSS P25774 1/20 0.30
▸ CTSK P43235 1/20 0.30
▸ CTSC P53634 1/20 0.30

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
SCHEMBL22273549 0.89 CAPN1 (0.52) CAPN1CAPN9CTSBMAPK1CTSL
SCHEMBL19391046 0.89 CAPN1 (0.52) CAPN1CAPN9CTSBMAPK1CTSL
SCHEMBL24842411 0.78 CAPN1 (0.64) CAPN1CAPN9CTSBMAPK1CTSL
SCHEMBL19390995 0.72 CAPN1 (0.47) CAPN1CAPN9CTSBMAPK1CTSL
SCHEMBL12653866 0.69 CAPN1 (0.81) CAPN1CAPN9CTSBMAPK1CTSL
SCHEMBL1803835 0.69 CAPN1 (0.81) CAPN1CAPN9CTSBMAPK1CTSL
SCHEMBL12653370 0.69 CAPN1 (0.81) CAPN1CAPN9CTSBMAPK1CTSL
SCHEMBL12904682 0.69 CAPN1 (0.81) CAPN1CAPN9CTSBMAPK1CTSL
SCHEMBL23961654 0.69 CAPN1 (0.66) CAPN1CAPN9CTSBMAPK1CTSL
SCHEMBL19391033 0.68 CAPN1 (0.46) CAPN1CAPN9CTSBMAPK1CTSL

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2921486-B1 Compositions and methods for treating beta-amyloid related diseases AMERICAN LIFE SCIENCE PHARMACEUTICALS INC (US) 2017-09-27 — — EP disclosed
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