SCHEMBL28035259

SCHEMBL28035259

CCC(C)OC(=O)c1occc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
THRB P10828 1/20 0.44
ADORA2B P29275 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GLA P06280 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
GABRA1 P14867 3/20 0.35
GABRG2 P18507 3/20 0.35
GABRB3 P28472 3/20 0.35
GABRA5 P31644 3/20 0.35
GABRA3 P34903 3/20 0.35

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
SCHEMBL1257007 0.78 MAPT (0.50) MAPTKDM4EALDH1A1THRBL3MBTL1
SCHEMBL162127 0.74 ADORA2B (0.43) MAPTKDM4EALDH1A1ADORA2BL3MBTL1
SCHEMBL28035716 0.73 ALDH1A1 (0.49) MAPTKDM4EALDH1A1THRBADORA2B
SCHEMBL27516023 0.73 KDM4E (0.49) MAPTKDM4EALDH1A1THRBL3MBTL1
SCHEMBL43076 0.73 KDM4E (0.53) MAPTKDM4EALDH1A1THRBL3MBTL1
SCHEMBL11078202 0.72 GAA (0.57) MAPTADORA2BGAASMN1; SMN2TDP1
SCHEMBL26622083 0.72 KDM4E (0.47) MAPTKDM4EALDH1A1THRBL3MBTL1
SCHEMBL27904144 0.72 KDM4E (0.47) MAPTKDM4EALDH1A1THRBL3MBTL1
SCHEMBL1965809 0.71 CA12 (0.53) MAPTKDM4EALDH1A1L3MBTL1
SCHEMBL28350049 0.70 L3MBTL1 (0.46) MAPTALDH1A1ADORA2BL3MBTL1TDP1

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-104910108-B A kind of preparation method of 3 alkyl Pityrosporum follicuitis 华南理工大学 2017-06-06 CN disclosed
CN-104910108-A 3-alkyl furoate perfume preparation method UNIV SOUTH CHINA TECH 2015-09-16 CN disclosed