SCHEMBL8866898

SCHEMBL8866898

CCOC(=O)N1CCC(O)(C#CC(C)OC(C)=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 2/20 0.38
ALDH1A1 P00352 5/20 0.37
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
THRB P10828 1/20 0.36
ATM Q13315 1/20 0.36
GAA P10253 4/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
CHRM1 P11229 1/20 0.34

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
SCHEMBL8867607 0.83 L3MBTL1 (0.45) L3MBTL1TSHRALDH1A1POLBSMN1; SMN2
SCHEMBL31283268 0.83 TSHR (0.39) L3MBTL1TSHRALDH1A1SMN1; SMN2HTT
SCHEMBL6208321 0.73 L3MBTL1 (0.40) L3MBTL1TSHRALDH1A1POLBSMN1; SMN2
SCHEMBL6824028 0.72 ALDH1A1 (0.50) L3MBTL1TSHRALDH1A1POLBSMN1; SMN2
SCHEMBL24606816 0.69 TSHR (0.50) L3MBTL1TSHRALDH1A1POLBSMN1; SMN2
SCHEMBL9373811 0.69 L3MBTL1 (0.53) L3MBTL1TSHRALDH1A1POLBSMN1; SMN2
SCHEMBL5986980 0.68 TSHR (0.53) L3MBTL1TSHRALDH1A1POLBSMN1; SMN2
SCHEMBL895343 0.68 L3MBTL1 (0.55) L3MBTL1TSHRALDH1A1POLBSMN1; SMN2
SCHEMBL505705 0.67 L3MBTL1 (0.51) L3MBTL1TSHRALDH1A1POLBSMN1; SMN2
SCHEMBL3956031 0.67 JAK2 (0.37) L3MBTL1TSHRKMT2ACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5594000-A THAT STIMULATE CENTRAL MUSCARINIC ACETYLCHOLINE RECEPTORS, ANALGESICS, NERVOUS SYSTEM DISORDERS, MENTAL ILLNESS ASTRA AB (SE) 1997-01-14 US disclosed
EP-0490901-A1 NOVEL SPIROFURANE DERIVATIVES Astra Aktiebolag (SE) 1992-06-24 EP disclosed
EP-0490901-A4 NOVEL SPIROFURANE DERIVATIVES. FISONS CORP (US) 1992-04-13 EP disclosed
WO-1990015804-A1 NOVEL SPIROFURANE DERIVATIVES FISONS CORPORATION (US) 1990-12-27 WO disclosed