SCHEMBL31690649

SCHEMBL31690649

CC(C)CCN(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CO1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 9/20 0.37
▸ CAPN9 O14815 2/20 0.37
▸ CTSB P07858 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ GRN P28799 1/20 0.36
▸ SORT1 Q99523 1/20 0.36
▸ PSEN1 P49768 3/20 0.35
▸ PSEN2 P49810 3/20 0.35
▸ APH1B Q8WW43 3/20 0.35
▸ NCSTN Q92542 3/20 0.35
▸ APH1A Q96BI3 3/20 0.35
▸ PSENEN Q9NZ42 3/20 0.35
▸ CTSL P07711 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CTSG P08311 1/20 0.34
▸ MAPT P10636 1/20 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
SCHEMBL25314133 0.79 CAPN1 (0.62) CAPN1CAPN9CTSBMAPK1CTSL
SCHEMBL25314124 0.79 CAPN1 (0.62) CAPN1CAPN9CTSBMAPK1CTSL
SCHEMBL24842411 0.75 CAPN1 (0.64) CAPN1CAPN9CTSBMAPK1CTSL
SCHEMBL14326980 0.69 TSHR (0.52) MAPK1GRNSORT1
SCHEMBL23961654 0.69 CAPN1 (0.66) CAPN1CAPN9CTSBMAPK1CTSL
SCHEMBL19391046 0.68 CAPN1 (0.52) CAPN1CAPN9CTSBMAPK1CTSL
SCHEMBL22273549 0.68 CAPN1 (0.52) CAPN1CAPN9CTSBMAPK1CTSL
SCHEMBL19391018 0.68 CAPN1 (0.40) CAPN1CAPN9CTSBMAPK1GRN
SCHEMBL22392911 0.67 CAPN1 (0.53) CAPN1CAPN9CTSBMAPK1PSEN1
SCHEMBL19390995 0.67 CAPN1 (0.47) 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-4463445-B1 COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF DISEASES ASSOCIATED WITH IMPAIRED ?-GALACTOSIDASE ACTIVITY DORPHAN S A (CH) 2025-10-01 — — EP claimed
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