SCHEMBL25310949

SCHEMBL25310949

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

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 15/20 0.72
CTSB P07858 3/20 0.72
CAPN9 O14815 2/20 0.72
MAPK1 P28482 2/20 0.72
CTSL P07711 3/20 0.66
CTSK P43235 2/20 0.66
LMNA P02545 2/20 0.66
CTSH P09668 1/20 0.66
CTSS P25774 1/20 0.66
CTSC P53634 1/20 0.66
CYP3A4 P08684 1/20 0.66
TSHR P16473 1/20 0.66
CYP2C19 P33261 1/20 0.66
USP2 O75604 1/20 0.66
MAPT P10636 1/20 0.66
BLM P54132 1/20 0.66
CTSG P08311 1/20 0.56

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
SCHEMBL25313981 0.93 CAPN1 (0.75) CAPN1CTSBCAPN9MAPK1CTSL
SCHEMBL7402323 0.88 CAPN1 (0.56) CAPN1CTSBCAPN9MAPK1CTSL
SCHEMBL7404688 0.86 CAPN1 (0.76) CAPN1CTSBCAPN9MAPK1CTSL
SCHEMBL11067480 0.84 CAPN1 (0.74) CAPN1CTSBCAPN9MAPK1CTSL
E-64C SCHEMBL3281530 0.84 CAPN1 (1.00) CAPN1CTSBCAPN9MAPK1CTSL
E-64C SCHEMBL1121089 0.84 CAPN1 (1.00) CAPN1CTSBCAPN9MAPK1CTSL
E-64C SCHEMBL10933522 0.84 CAPN1 (1.00) CAPN1CTSBCAPN9MAPK1CTSL
E-64C SCHEMBL10750447 0.84 CAPN1 (1.00) CAPN1CTSBCAPN9MAPK1CTSL
E-64C SCHEMBL14067670 0.84 CAPN1 (1.00) CAPN1CTSBCAPN9MAPK1CTSL
E-64C SCHEMBL6041204 0.84 CAPN1 (1.00) CAPN1CTSBCAPN9MAPK1CTSL

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
WO-2023135480-A1 COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF DISEASES ASSOCIATED WITH IMPAIRED β-GALACTOSIDASE ACTIVITY DORPHAN SA (CH) 2023-07-20 WO claimed
WO-2023135480-A1 COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF DISEASES ASSOCIATED WITH IMPAIRED β-GALACTOSIDASE ACTIVITY DORPHAN SA (CH) 2023-07-20 WO disclosed