SCHEMBL30107576

SCHEMBL30107576

CC(C)(C)OC(=O)C12C(=O)NCC1C2C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
MAPK1 P28482 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
SCHEMBL30309358 0.67
SCHEMBL4748046 0.64 DDB1 (0.31) DDB1CRBNMAPK1
SCHEMBL30448722 0.61 MAPK1 (0.32) MAPK1
SCHEMBL31187659 0.61 BTK (0.31)
SCHEMBL7868198 0.59 GAA (0.43)
SCHEMBL1710058 0.58 HSD17B10 (0.36) DDB1CRBNMAPK1
SCHEMBL15129360 0.58 HSD17B10 (0.36) DDB1CRBNMAPK1
SCHEMBL34474146 0.58 DGAT1 (0.32) MAPK1
SCHEMBL7567670 0.58 BTK (0.37) MAPK1
SCHEMBL6900137 0.58

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-110678466-B Diazanaphthalenes as HPK1 inhibitors 豪夫迈·罗氏有限公司 2023-01-31 CN disclosed