SCHEMBL9809369

SCHEMBL9809369

C=C1COC2(CCN(C(=O)OCC)CC2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 8/20 0.43
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 1/20 0.42
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KLK7 P49862 1/20 0.41
RECQL P46063 1/20 0.41
GLA P06280 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
POLB P06746 2/20 0.40
HTT P42858 1/20 0.40
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 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
SCHEMBL138832 0.87 KMT2A (0.50) KMT2ATSHRL3MBTL1ALDH1A1KDM4E
SCHEMBL14239663 0.82 USP2 (0.45) TSHRSMN1; SMN2HPGDRECQL
SCHEMBL8866815 0.81 KMT2A (0.45) KMT2ATSHRL3MBTL1ALDH1A1KDM4E
SCHEMBL8866810 0.81 KMT2A (0.45) KMT2ATSHRL3MBTL1ALDH1A1KDM4E
SCHEMBL8188669 0.78 TSHR (0.55) KMT2ATSHRL3MBTL1ALDH1A1KDM4E
SCHEMBL31722398 0.76 LMNA (0.51) KMT2ATSHRL3MBTL1ALDH1A1KDM4E
SCHEMBL9177983 0.72 TSHR (0.47) KMT2ATSHRL3MBTL1ALDH1A1KDM4E
SCHEMBL10339106 0.71 KMT2A (0.49) KMT2ATSHRL3MBTL1ALDH1A1KDM4E
Ethylene SCHEMBL8866321 0.71 KMT2A (0.46) KMT2ATSHRL3MBTL1ALDH1A1KDM4E
SCHEMBL12994041 0.71 TSHR (0.53) KMT2ATSHRALDH1A1KDM4ESMN1; SMN2

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
US-5075317-A 2,8-dimethyl-1-oxa-8-azospiro(4.5) decan-3-one; alzheimer*s di sease FISONS CORPORATION (US) 1991-12-24 US disclosed