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SCHEMBL25968596

SCHEMBL25968596

CC(C)(C)OC(=O)C1CC(NCc2ccc3ccccc3c2)(C(=O)O)CN1C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.36
▸ GRM2 Q14416 1/20 0.34
▸ PPIA P62937 2/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ CTSB P07858 1/20 0.32
▸ CTSS P25774 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ FABP5 Q01469 2/20 0.32
▸ FABP7 O15540 1/20 0.32
▸ DPP8 Q6V1X1 1/20 0.31
▸ DPP9 Q86TI2 1/20 0.31

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
SCHEMBL25343338 1.00 CASP1 (0.36) CASP1GRM2PPIAEPHX2CTSB
SCHEMBL25968518 0.91 CASP1 (0.39) CASP1EPHX2BACE1FABP5FABP7
SCHEMBL25344636 0.90 CASP1 (0.36) CASP1EPHX2BACE1FABP5FABP7
SCHEMBL30569814 0.89 CASP1 (0.34) CASP1PPIA
SCHEMBL25968525 0.89 CASP1 (0.37) CASP1EPHX2BACE1FABP5FABP7
SCHEMBL25968620 0.88 CASP1 (0.34) CASP1
SCHEMBL25968519 0.88 CASP1 (0.37) CASP1EPHX2BACE1FABP5FABP7
SCHEMBL25968522 0.88 SCN9A (0.43) CASP1
SCHEMBL25344766 0.87 CASP1 (0.37) CASP1EPHX2BACE1FABP5FABP7
SCHEMBL25968601 0.87 CASP1 (0.37) CASP1EPHX2BACE1FABP5FABP7

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
WO-2023154724-A2 PROCESSES AND COMPOUNDS FOR PREPARING SPIROLIGOMERS TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2023-08-17 — — WO disclosed