SCHEMBL28738372

SCHEMBL28738372

CC(O)CN(CC(O)C(N)Cc1ccccc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SPPL2A Q8TCT8 5/20 0.59
▸ MMP3 P08254 1/20 0.46
▸ PSEN1 P49768 3/20 0.41
▸ PSEN2 P49810 3/20 0.41
▸ APH1B Q8WW43 3/20 0.41
▸ NCSTN Q92542 3/20 0.41
▸ APH1A Q96BI3 3/20 0.41
▸ PSENEN Q9NZ42 3/20 0.41
▸ MLNR O43193 1/20 0.41
▸ ABCB11 O95342 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CTSD P07339 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP3A5 P20815 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ TBXAS1 P24557 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ PTPN1 P18031 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ KEAP1 Q14145 1/20 0.39

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
SCHEMBL28738374 1.00 SPPL2A (0.59) SPPL2AMMP3PSEN1PSEN2APH1B
SCHEMBL28738371 1.00 SPPL2A (0.59) SPPL2AMMP3PSEN1PSEN2APH1B
SCHEMBL28738369 0.94 SPPL2A (0.68) SPPL2AMMP3PSEN1PSEN2APH1B
SCHEMBL28738367 0.94 SPPL2A (0.68) SPPL2AMMP3PSEN1PSEN2APH1B
SCHEMBL28738312 0.87 SPPL2A (0.51) SPPL2AMMP3PSEN1PSEN2APH1B
SCHEMBL28738314 0.87 SPPL2A (0.51) SPPL2AMMP3PSEN1PSEN2APH1B
SCHEMBL28610516 0.87 SPPL2A (0.64) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL28610517 0.87 SPPL2A (0.64) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL28628358 0.84 SPPL2A (0.60) SPPL2AKEAP1
SCHEMBL28738327 0.84 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
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