SCHEMBL30739951

SCHEMBL30739951

CC(C)(C)OC(=O)N1CCc2cc(COS(C)(=O)=O)ccc2C1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 4/20 0.65
▸ NR1H2 P55055 1/20 0.55
▸ ABHD6 Q9BV23 2/20 0.43
▸ TMEM97 Q5BJF2 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ GPR119 Q8TDV5 9/20 0.41
▸ ESR1 P03372 3/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ DDB1 Q16531 1/20 0.40
▸ CRBN Q96SW2 1/20 0.40

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
SCHEMBL169319 1.00 ESR2 (0.65) ESR2NR1H2ABHD6TMEM97SIGMAR1
SCHEMBL2284685 0.96 NR1H2 (0.61) ESR2NR1H2ABHD6TMEM97SIGMAR1
SCHEMBL29883466 0.96 NR1H2 (0.61) ESR2NR1H2ABHD6TMEM97SIGMAR1
SCHEMBL1789713 0.93 ESR2 (0.55) ESR2NR1H2GPR119
SCHEMBL15878872 0.91 ESR2 (0.51) ESR2NR1H2ABHD6GPR119MAPK1
SCHEMBL29155326 0.85 ESR2 (0.43) ESR2TMEM97SIGMAR1ESR1
SCHEMBL3176570 0.84 ABHD6 (0.47) ESR2ABHD6TMEM97SIGMAR1ESR1
SCHEMBL14768550 0.83 ESR2 (0.70) ESR2NR1H2ABHD6TMEM97SIGMAR1
SCHEMBL29407529 0.83 ESR2 (0.70) ESR2NR1H2ABHD6TMEM97SIGMAR1
SCHEMBL168265 0.83 ESR2 (0.70) ESR2NR1H2ABHD6TMEM97SIGMAR1

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-117412954-A Synthesis of rapamycin analog compounds 锐新医药公司 2024-01-16 — — CN disclosed
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