SCHEMBL28738352

SCHEMBL28738352

COc1ccc(S(=O)(=O)N(CC(O)C(N)Cc2ccccc2)C2CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.52
SPPL2A Q8TCT8 5/20 0.51
PSEN1 P49768 4/20 0.51
PSEN2 P49810 4/20 0.51
APH1B Q8WW43 4/20 0.51
NCSTN Q92542 4/20 0.51
APH1A Q96BI3 4/20 0.51
PSENEN Q9NZ42 4/20 0.51
KCNA5 P22460 1/20 0.51
KEAP1 Q14145 1/20 0.47
MMP1 P03956 2/20 0.46
MMP9 P14780 2/20 0.46
MMP13 P45452 2/20 0.46
SPPL2B Q8TCT7 1/20 0.46

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
SCHEMBL28738351 1.00 BACE1 (0.52) BACE1SPPL2APSEN1PSEN2APH1B
SCHEMBL28738239 0.86 SPPL2A (0.51) BACE1SPPL2APSEN1PSEN2APH1B
SCHEMBL28738241 0.86 SPPL2A (0.51) BACE1SPPL2APSEN1PSEN2APH1B
SCHEMBL28738316 0.83 SPPL2A (0.48) BACE1SPPL2APSEN1PSEN2APH1B
SCHEMBL28738317 0.83 SPPL2A (0.48) BACE1SPPL2APSEN1PSEN2APH1B
SCHEMBL4872869 0.82 KCNA5 (0.50) BACE1SPPL2AKCNA5MMP1MMP9
SCHEMBL7905239 0.81 SPPL2A (0.69) SPPL2A
SCHEMBL28628359 0.81 SPPL2A (0.60) SPPL2AKEAP1
SCHEMBL14602719 0.81 SPPL2A (0.69) SPPL2A
SCHEMBL28628358 0.81 SPPL2A (0.60) SPPL2AKEAP1

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-114230630-A Triptolide derivative and application thereof 郑州人民医院(郑州人民医院医疗管理中心) 2022-03-25 CN disclosed