SCHEMBL7946972

SCHEMBL7946972

CCOC(=O)c1cc2c(COC(C)=O)ccc3c2n1CCCCC3=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
GAA P10253 4/20 0.43
ALOX15 P16050 3/20 0.43
MAPK1 P28482 3/20 0.38
LMNA P02545 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
PDE3B Q13370 6/20 0.38
PDE3A Q14432 6/20 0.38
HPGD P15428 2/20 0.36
KDM4E B2RXH2 5/20 0.36
HSD17B10 Q99714 3/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 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
SCHEMBL7955709 0.88 ALDH1A1 (0.42) ALDH1A1GAAALOX15MAPK1LMNA
SCHEMBL7954130 0.85 ALDH1A1 (0.45) ALDH1A1GAAALOX15MAPK1LMNA
SCHEMBL7958065 0.83 ALDH1A1 (0.44) ALDH1A1GAAALOX15MAPK1LMNA
SCHEMBL7955774 0.82 MAPK1 (0.43) ALDH1A1GAAALOX15MAPK1LMNA
SCHEMBL7946984 0.80 PDE3B (0.45) ALDH1A1GAAALOX15MAPK1LMNA
SCHEMBL7954146 0.77 KDM4E (0.41) ALDH1A1GAAALOX15MAPK1LMNA
SCHEMBL7955932 0.76 ALDH1A1 (0.43) ALDH1A1GAAALOX15MAPK1LMNA
SCHEMBL7955763 0.76 ALDH1A1 (0.41) ALDH1A1GAAALOX15MAPK1LMNA
SCHEMBL7946960 0.75 KCNK3 (0.41) ALDH1A1GAAALOX15MAPK1LMNA
SCHEMBL7960882 0.73 MCL1 (0.46) ALDH1A1GAAALOX15MAPK1KMT2A

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
US-6271251-B1 CARDIOVASCULAR DISORDERS SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2001-08-07 US disclosed
US-5977100-A Substituted guanidine derivatives, process for production thereof, and pharmaceutical uses thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-11-02 US disclosed
US-5834454-A TREATMENT OF ANGINA, ISCHEMIA, ARRHYTHMIA SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-11-10 US disclosed
EP-0787728-A1 Substituted guanidine derivatives, process for production thereof, and pharmaceutical uses thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1997-08-06 EP disclosed