SCHEMBL28738314

SCHEMBL28738314

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SPPL2A Q8TCT8 2/20 0.51
▸ MMP3 P08254 1/20 0.42
▸ PSEN1 P49768 1/20 0.41
▸ PSEN2 P49810 1/20 0.41
▸ APH1B Q8WW43 1/20 0.41
▸ NCSTN Q92542 1/20 0.41
▸ APH1A Q96BI3 1/20 0.41
▸ PSENEN Q9NZ42 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ F2 P00734 1/20 0.41
▸ KEAP1 Q14145 1/20 0.41
▸ NFE2L2 Q16236 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ BACE1 P56817 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HSD11B1 P28845 1/20 0.39
▸ NR1H2 P55055 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 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
SCHEMBL28738312 1.00 SPPL2A (0.51) SPPL2AMMP3PSEN1PSEN2APH1B
SCHEMBL28738367 0.87 SPPL2A (0.68) SPPL2AMMP3PSEN1PSEN2APH1B
SCHEMBL28738371 0.87 SPPL2A (0.59) SPPL2AMMP3PSEN1PSEN2APH1B
SCHEMBL28738369 0.87 SPPL2A (0.68) SPPL2AMMP3PSEN1PSEN2APH1B
SCHEMBL28738372 0.87 SPPL2A (0.59) SPPL2AMMP3PSEN1PSEN2APH1B
SCHEMBL28738374 0.87 SPPL2A (0.59) SPPL2AMMP3PSEN1PSEN2APH1B
SCHEMBL14390723 0.74 SPPL2A (0.54) SPPL2AF2HTTCSNK1E
SCHEMBL4373559 0.74 SPPL2A (0.76) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL4911140 0.74 SPPL2A (0.76) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL23129692 0.74 SPPL2A (0.74) SPPL2APSEN1PSEN2APH1BNCSTN

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
Send feedback