SCHEMBL27487560

SCHEMBL27487560

CCN(CC)c1c[c]c(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.45
L3MBTL1 Q9Y468 5/20 0.45
MAPK1 P28482 4/20 0.45
CYP3A4 P08684 3/20 0.45
TSHR P16473 3/20 0.45
GFER P55789 2/20 0.45
PSMD14 O00487 1/20 0.45
RECQL P46063 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
S100B P04271 1/20 0.42
ALDH3A1 P30838 1/20 0.42
ALDH1A3 P47895 1/20 0.42
TERT O14746 1/20 0.39
KDM4E B2RXH2 3/20 0.37
CNR2 P34972 2/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 6/20 0.35
KMT2A Q03164 6/20 0.35
MAPT P10636 6/20 0.35
HPGD P15428 4/20 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
SCHEMBL5709001 0.79
SCHEMBL16166821 0.78 ALDH1A1 (0.45) ALDH1A1L3MBTL1MAPK1CYP3A4TSHR
SCHEMBL5460294 0.77 ALDH1A1 (0.43) ALDH1A1L3MBTL1MAPK1CYP3A4TSHR
SCHEMBL193214 0.77 ALDH1A1 (0.43) ALDH1A1L3MBTL1MAPK1CYP3A4TSHR
SCHEMBL1551933 0.75 ALDH1A1 (0.48) ALDH1A1L3MBTL1MAPK1CYP3A4TSHR
SCHEMBL1735497 0.72 ALDH1A1 (0.74) ALDH1A1L3MBTL1MAPK1CYP3A4TSHR
Hydrochloric Acid SCHEMBL8046146 0.70 ALDH1A1 (0.70) ALDH1A1L3MBTL1MAPK1CYP3A4TSHR
Hydrochloric Acid SCHEMBL8046149 0.70 ALDH1A1 (0.70) ALDH1A1L3MBTL1MAPK1CYP3A4TSHR
SCHEMBL1637760 0.70 S100B (0.47) ALDH1A1L3MBTL1MAPK1CYP3A4TSHR
SCHEMBL43704 0.69 ALDH1A1 (0.61) ALDH1A1L3MBTL1MAPK1CYP3A4TSHR

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-104797621-B Moisture indicating hydrophilic polyurethanes 墨尼克医疗用品有限公司 2018-05-11 CN disclosed
CN-1212283-C Radiation curable compositions with simultaneous color formation during cure DSM NV (NL) 2005-07-27 CN disclosed
CN-1377328-A Radiation-curable composition with simultaneous color formation during cure DSM NV (NL) 2002-10-30 CN disclosed