SCHEMBL28720394

SCHEMBL28720394

CC(C)(C)OC(=O)NCC1CCC(NC(=O)c2ccc3cc(Cl)ccc3n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 13/20 0.52
ACACA Q13085 9/20 0.52
PBK Q96KB5 1/20 0.49
ATF4 P18848 2/20 0.46
HTR7 P34969 1/20 0.43
HPGDS O60760 1/20 0.42
MAPK14 Q16539 1/20 0.42

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
SCHEMBL23920476 1.00 ACACB (0.52) ACACBACACAPBKATF4HTR7
SCHEMBL29526791 1.00 ACACB (0.52) ACACBACACAPBKATF4HTR7
SCHEMBL28516457 0.89 ATF4 (0.49) ATF4HTR7HPGDS
SCHEMBL29354666 0.89 ATF4 (0.49) ATF4HTR7HPGDS
SCHEMBL24225655 0.89 ATF4 (0.49) ATF4HTR7HPGDS
SCHEMBL22373872 0.87 ACACB (0.47) ACACBACACAPBKATF4
SCHEMBL23920506 0.85 ATF4 (0.51) ACACBACACAATF4
SCHEMBL22777602 0.85 ATF4 (0.51) ATF4HTR7MAPK14
SCHEMBL22777611 0.82 ATF4 (0.48) ATF4HTR7
SCHEMBL22777610 0.82 ATF4 (0.48) ATF4HTR7

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-114206829-A Integrated stress response pathway inhibitors 普拉西斯生物技术有限责任公司 2022-03-18 CN disclosed