SCHEMBL29908852

SCHEMBL29908852

O=C1c2c(O)cccc2O[C@@H]2CC[C@H](O)[C@H]12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.42
BCHE P06276 2/20 0.42
TTR P02766 1/20 0.39
PTPN1 P18031 1/20 0.38
MAOA P21397 3/20 0.37
MAOB P27338 2/20 0.37
MEN1 O00255 3/20 0.33
MAPT P10636 3/20 0.33
KMT2A Q03164 3/20 0.33
THRB P10828 2/20 0.33
CYP3A4 P08684 2/20 0.33
ALOX15 P16050 2/20 0.33
HSD17B10 Q99714 2/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPN P05981 1/20 0.33
ALOX5 P09917 1/20 0.33
TSHR P16473 1/20 0.33
PTGS1 P23219 1/20 0.33
PDE4A P27815 1/20 0.33

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
SCHEMBL4320359 0.74 TTR (0.42) TTRPTPN1MAOAMAOBMEN1
SCHEMBL18602048 0.64 MAPT (0.73) PTPN1MEN1MAPTKMT2ACYP3A4
SCHEMBL16299685 0.64
SCHEMBL2717300 0.64
SCHEMBL28813644 0.63 MAOA (0.59) TTRPTPN1MAOAMAOBMEN1
SCHEMBL14336079 0.61 PTPN1 (0.38) PTPN1MAOAMAOBMEN1MAPT
SCHEMBL5307719 0.61 MAOA (0.39) TTRPTPN1MAOAMAOBMEN1
SCHEMBL3058451 0.61 NR3C1 (0.50) TTRMAOAMAPTKMT2AALDH1A1
SCHEMBL10362225 0.60 CYP19A1 (0.70) TTRMAOAMAOBMEN1MAPT
SCHEMBL3846047 0.60 CYP19A1 (0.70) TTRMAOAMAOBMEN1MAPT

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-113444101-B Cyclopentane chromanone spliced bis-spiro-indene dione oxoindole compound and preparation method and application thereof 贵州大学 2023-04-07 CN disclosed
WO-2022177263-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF NEURODEGENERATIVE DISEASES, COMPRISING DIAPORTHEONE A1, DIAPORTHEONE A2, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, OR COMBINATION THEREOF 가천대학교 산학협력단 2022-08-25 WO disclosed