SCHEMBL13869376

SCHEMBL13869376

CCN(CC)c1ccc2c(C)c(-c3c4ccccc4c(-c4c(C)c5ccc(N(CC)CC)cc5oc4=O)c4ccccc34)c(=O)oc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.68
KDM4E B2RXH2 8/20 0.68
MAPT P10636 6/20 0.68
L3MBTL1 Q9Y468 5/20 0.68
HPGD P15428 5/20 0.68
HIF1A Q16665 2/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
HTT P42858 6/20 0.66
TDP1 Q9NUW8 4/20 0.66
ATM Q13315 6/20 0.63
GLA P06280 6/20 0.63
GAA P10253 2/20 0.63
KLK7 P49862 1/20 0.63
EP300 Q09472 1/20 0.61
CASP1 P29466 6/20 0.56
CASP7 P55210 6/20 0.56
HSD17B10 Q99714 6/20 0.56
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
NPSR1 Q6W5P4 3/20 0.56

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
SCHEMBL13869342 0.90 ALDH1A1 (0.72) ALDH1A1KDM4EMAPTL3MBTL1HPGD
SCHEMBL5590828 0.88 ALDH1A1 (0.78) ALDH1A1KDM4EMAPTL3MBTL1HPGD
SCHEMBL13869633 0.87 ALDH1A1 (0.65) ALDH1A1KDM4EMAPTL3MBTL1HPGD
SCHEMBL13869309 0.85 ALDH1A1 (0.86) ALDH1A1KDM4EMAPTL3MBTL1HPGD
SCHEMBL13869289 0.85 ALDH1A1 (0.72) ALDH1A1KDM4EMAPTL3MBTL1HPGD
SCHEMBL11296750 0.84 ALDH1A1 (0.78) ALDH1A1KDM4EMAPTL3MBTL1HPGD
SCHEMBL13869430 0.84 ALDH1A1 (0.68) ALDH1A1KDM4EMAPTL3MBTL1HPGD
SCHEMBL14415886 0.84 ALDH1A1 (0.67) ALDH1A1KDM4EMAPTL3MBTL1HPGD
SCHEMBL13869448 0.83 ALDH1A1 (0.63) ALDH1A1KDM4EMAPTL3MBTL1HPGD
SCHEMBL14160779 0.82 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTL3MBTL1HPGD

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
US-7514158-B2 Coumarin compound KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2009-04-07 US disclosed
US-7514158-B2 Coumarin compound KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2009-04-07 US disclosed