SCHEMBL28516296

SCHEMBL28516296

CC(C)(C)C1COC(C)(C)N1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.33

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
SCHEMBL5549078 0.87 SPHK1 (0.33) SPHK1
SCHEMBL3450115 0.87 SPHK1 (0.33) SPHK1
SCHEMBL1774832 0.87 SPHK1 (0.33) SPHK1
SCHEMBL1776206 0.86 SPHK1 (0.32) SPHK1
SCHEMBL25255699 0.84 SPHK1 (0.32) SPHK1
SCHEMBL25255700 0.84 SPHK1 (0.32) SPHK1
SCHEMBL3450844 0.83 SPHK1 (0.33) SPHK1
SCHEMBL25212359 0.82 SPHK1 (0.30) SPHK1
SCHEMBL25266764 0.82 SPHK1 (0.30) SPHK1
SCHEMBL23924723 0.80 SPHK1 (0.33) SPHK1

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-112424188-A Pyridazinones as PARP7 inhibitors 里邦医疗公司 2021-02-26 CN disclosed