SCHEMBL31690648

SCHEMBL31690648

CC(C)C[C@H](NC(=O)[C@@H]1CO1)C(=O)NCCCN1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ RAD52 P43351 1/20 0.44
▸ CAPN1 P07384 5/20 0.43
▸ CAPN9 O14815 3/20 0.43
▸ CTSB P07858 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ TSHR P16473 3/20 0.42
▸ TP53 P04637 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ CTSK P43235 2/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CTSH P09668 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ CTSC P53634 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ LMNA P02545 1/20 0.41

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
SCHEMBL25314070 0.83 CAPN1 (0.66) CAPN1CAPN9CTSBMAPK1TSHR
SCHEMBL25314062 0.83 CAPN1 (0.66) CAPN1CAPN9CTSBMAPK1TSHR
SCHEMBL19390995 0.82 CAPN1 (0.47) CAPN1CAPN9CTSBMAPK1TSHR
SCHEMBL24842411 0.80 CAPN1 (0.64) CAPN1CAPN9CTSBMAPK1TSHR
SCHEMBL25901224 0.80 CAPN1 (0.45) CAPN1CAPN9CTSBMAPK1TSHR
SCHEMBL25901112 0.79 CAPN1 (0.69) CAPN1CAPN9CTSBMAPK1TSHR
SCHEMBL30503343 0.79 CAPN1 (0.69) CAPN1CAPN9CTSBMAPK1TSHR
SCHEMBL16420828 0.79 CAPN1 (0.50) CAPN1CAPN9CTSBMAPK1TSHR
SCHEMBL14434209 0.79 CAPN1 (0.50) CAPN1CAPN9CTSBMAPK1TSHR
SCHEMBL23961738 0.77 CAPN1 (0.50) CAPN1CAPN9CTSBMAPK1TSHR

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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