SCHEMBL28829841

SCHEMBL28829841

COc1ccc2[nH]c3c4c(c(/C=C/C(=O)O)cc3c2c1)OC(C)(C)C=C4

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.55
▸ ALDH1A1 P00352 5/20 0.55
▸ MEN1 O00255 4/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ HSD17B10 Q99714 4/20 0.55
▸ TSHR P16473 2/20 0.55
▸ HPGD P15428 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ MAPT P10636 4/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ XBP1 P17861 1/20 0.44
▸ ACHE P22303 2/20 0.38
▸ GFER P55789 2/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP7 P55210 1/20 0.37

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
Claulansine F SCHEMBL29684000 0.86 ALDH1A1 (0.61) KDM4EALDH1A1MEN1KMT2AHSD17B10
SCHEMBL28829842 0.85 MAPT (0.44) KDM4EALDH1A1MEN1KMT2AHSD17B10
Koenimbine SCHEMBL29581663 0.80 MAPT (0.69) KDM4EALDH1A1MEN1KMT2AHSD17B10
Haplamine SCHEMBL30203195 0.72 ALDH1A1 (1.00) KDM4EALDH1A1MEN1KMT2AHSD17B10
Haplamine SCHEMBL257952 0.72 ALDH1A1 (1.00) KDM4EALDH1A1MEN1KMT2AHSD17B10
SCHEMBL30929792 0.71 MAPT (0.69) KDM4EALDH1A1MEN1KMT2AHSD17B10
SCHEMBL28829872 0.70 MAPT (0.49) KDM4EALDH1A1MEN1KMT2AHSD17B10
SCHEMBL21256051 0.67 KMT2A (0.77) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL29502491 0.67 MAPT (0.72) KDM4EALDH1A1MEN1KMT2AHSD17B10
SCHEMBL18271405 0.66 PIKFYVE (0.69) KDM4EALDH1A1MEN1KMT2AHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114685519-B Pyranocarbazole alkaloid derivatives and application thereof in treating Alzheimer's disease 中国医学科学院药物研究所 2023-09-26 — — CN disclosed
CN-114685519-A Pyrano-carbazole alkaloid derivative and application thereof in treating Alzheimer's disease 中国医学科学院药物研究所 2022-07-01 — — CN disclosed
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