SCHEMBL30569816

SCHEMBL30569816

CC(C)(C)OC(=O)[C@H]1C[C@](NCc2ccncc2)(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)CN1C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.35
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30
NAMPT P43490 1/20 0.30

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
SCHEMBL25968601 0.89 CASP1 (0.37) CASP1DPP8DPP9NAMPT
SCHEMBL25344766 0.89 CASP1 (0.37) CASP1DPP8DPP9NAMPT
SCHEMBL30569814 0.89 CASP1 (0.34) CASP1
SCHEMBL30569813 0.88 CASP1 (0.34) CASP1
SCHEMBL30569815 0.85 CASP1 (0.34) CASP1DPP8DPP9
SCHEMBL25968518 0.83 CASP1 (0.39) CASP1DPP8DPP9
SCHEMBL25968525 0.83 CASP1 (0.37) CASP1DPP8DPP9
SCHEMBL25968600 0.81 NAMPT (0.40) CASP1NAMPT
SCHEMBL25968519 0.79 CASP1 (0.37) CASP1DPP8DPP9
SCHEMBL25968522 0.79 SCN9A (0.43) CASP1

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
EP-4475826-A2 PROCESSES AND COMPOUNDS FOR PREPARING SPIROLIGOMERS Temple University Of The Commonwealth System Of Higher Education (US) 2024-12-18 EP disclosed
WO-2023154724-A2 PROCESSES AND COMPOUNDS FOR PREPARING SPIROLIGOMERS TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2023-08-17 WO disclosed