SCHEMBL28043306

SCHEMBL28043306

CCN(CC)c1ccc2c(c1)OC(C=O)C=C2C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
MAPT P10636 7/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
HSD17B10 Q99714 4/20 0.39
HPGD P15428 3/20 0.39
MAPK1 P28482 2/20 0.39
ALDH3A1 P30838 1/20 0.39
ALDH1A3 P47895 1/20 0.39
CYP19A1 P11511 1/20 0.37
KDM4E B2RXH2 6/20 0.36
NPSR1 Q6W5P4 1/20 0.36
S100B P04271 1/20 0.36
GLA P06280 3/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
ATM Q13315 2/20 0.36
IGLV6-57 P01721 1/20 0.36
CYP3A4 P08684 1/20 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
SCHEMBL25904709 0.81 S100B (0.39) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL28574669 0.75 PBRM1 (0.36) MAOB
SCHEMBL12168664 0.74 MEN1 (0.33) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL28318250 0.73 ALDH1A1 (0.39) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL12206166 0.71 S100B (0.40) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL30103333 0.71 S100B (0.40) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL27546376 0.71 MAOB (0.41) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL24198288 0.70 ALDH1A1 (0.39) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL25572168 0.69 ALDH1A1 (0.40) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL29155456 0.68 RAB9A (0.43) KMT2ACYP19A1KDM4EMAOB

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
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
CN-105022226-A Photosensitive composition excellent in light absorption and suitable for forming fine pattern KCC CO LTD 2015-11-04 CN disclosed