SCHEMBL30103333

SCHEMBL30103333

CCN(CC)c1ccc2c(c1)OCC=C2C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.40
ALDH1A1 P00352 12/20 0.40
L3MBTL1 Q9Y468 6/20 0.40
KMT2A Q03164 5/20 0.40
MAPT P10636 5/20 0.40
HSD17B10 Q99714 4/20 0.40
MEN1 O00255 4/20 0.40
MAPK1 P28482 3/20 0.40
HPGD P15428 3/20 0.40
TERT O14746 1/20 0.38
CYP19A1 P11511 1/20 0.37
GLA P06280 4/20 0.36
CYP3A4 P08684 4/20 0.36
CASP1 P29466 3/20 0.36
CASP7 P55210 3/20 0.36
ATM Q13315 2/20 0.36
IGLV6-57 P01721 1/20 0.36
HIF1A Q16665 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 6/20 0.36

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
SCHEMBL12206166 1.00 S100B (0.40) S100BALDH1A1L3MBTL1KMT2AMAPT
SCHEMBL28255547 0.84 ALDH1A1 (0.41) S100BALDH1A1L3MBTL1KMT2AMAPT
SCHEMBL31160177 0.80 ALDH1A1 (0.36) S100BALDH1A1L3MBTL1KMT2AMAPT
SCHEMBL31160160 0.79 ALDH1A1 (0.35) S100BALDH1A1L3MBTL1KMT2AMAPT
SCHEMBL25904709 0.74 S100B (0.39) S100BALDH1A1L3MBTL1KMT2AMAPT
SCHEMBL31160240 0.74 ALDH1A1 (0.33) ALDH1A1L3MBTL1KMT2AMAPTHSD17B10
SCHEMBL30553903 0.74 APP (0.39) L3MBTL1KMT2AMAPTMEN1CASP1
SCHEMBL28349106 0.73 MAPT (0.47) ALDH1A1L3MBTL1KMT2AMAPTHSD17B10
SCHEMBL29488786 0.71 MAOB (0.46) ALDH1A1CYP19A1CYP3A4KDM4E
SCHEMBL12994693 0.71 S100B (0.39) S100BALDH1A1L3MBTL1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115449261-B Preparation method of coffee flavor printing ink based on recovery of coffee bean waste 扬州市祥华新材料科技有限公司 2023-07-11 CN claimed
CN-115449261-B Preparation method of coffee flavor printing ink based on recovery of coffee bean waste 扬州市祥华新材料科技有限公司 2023-07-11 CN disclosed
CN-115449261-A Preparation method of coffee flavor printing ink based on coffee bean waste recovery 扬州市祥华新材料科技有限公司 2022-12-09 CN disclosed