SCHEMBL30643189

SCHEMBL30643189

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

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 15/20 0.69
CTSB P07858 3/20 0.69
CTSL P07711 3/20 0.69
CTSK P43235 2/20 0.69
CAPN9 O14815 2/20 0.69
MAPK1 P28482 2/20 0.69
LMNA P02545 2/20 0.69
CTSH P09668 1/20 0.69
CTSS P25774 1/20 0.69
CTSC P53634 1/20 0.69
CYP3A4 P08684 1/20 0.69
TSHR P16473 1/20 0.69
CYP2C19 P33261 1/20 0.69
USP2 O75604 1/20 0.69
MAPT P10636 1/20 0.69
BLM P54132 1/20 0.69
CTSG P08311 1/20 0.50

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
SCHEMBL11067480 0.93 CAPN1 (0.74) CAPN1CTSBCTSLCTSKCAPN9
SCHEMBL11188762 0.92 CAPN1 (0.72) CAPN1CTSBCTSLCTSKCAPN9
SCHEMBL11184932 0.92 CAPN1 (0.72) CAPN1CTSBCTSLCTSKCAPN9
E-64 SCHEMBL13283063 0.84 CAPN1 (0.74) CAPN1CTSBCTSLCTSKCAPN9
E-64 SCHEMBL7087294 0.84 CAPN1 (0.74) CAPN1CTSBCTSLCTSKCAPN9
E-64 SCHEMBL23132676 0.84 CAPN1 (0.74) CAPN1CTSBCTSLCTSKCAPN9
E-64 SCHEMBL16452857 0.84 CAPN1 (0.74) CAPN1CTSBCTSLCTSKCAPN9
E-64 SCHEMBL4740187 0.84 CAPN1 (0.74) CAPN1CTSBCTSLCTSKCAPN9
E-64 SCHEMBL13523481 0.84 CAPN1 (0.74) CAPN1CTSBCTSLCTSKCAPN9
E-64 SCHEMBL32663599 0.83 CAPN1 (0.73) CAPN1CTSBCTSLCTSKCAPN9

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
CN-117042810-A AAV production systems for AAV viral particles with increased infectivity 生物马林药物股份有限公司 2023-11-10 CN disclosed