SCHEMBL7101099

SCHEMBL7101099

COc1cccc(C2C3=C(CCCC3=O)NC3=C2C(=O)OC3)c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR174 Q9BXC1 3/20 0.65
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
ABCC9 O60706 12/20 0.61
KCNJ11 Q14654 12/20 0.61
ABCC8 Q09428 11/20 0.61
KCNJ8 Q15842 11/20 0.61
GAA P10253 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAPT P10636 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
GALK1 P51570 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL7833283 0.91 GPR174 (0.76) GPR174MEN1KMT2AL3MBTL1ABCC9
SCHEMBL7835762 0.83 GPR174 (0.66) GPR174MEN1KMT2AL3MBTL1ABCC9
SCHEMBL10818542 0.80 KDM4E (0.50) GPR174MEN1KMT2AL3MBTL1ABCC9
SCHEMBL22388477 0.79 GPR174 (1.00) GPR174MEN1KMT2AL3MBTL1GAA
SCHEMBL7097711 0.79 ABCC9 (0.82) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7101209 0.78 ABCC9 (0.77) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7099014 0.78 ABCC9 (0.66) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7095119 0.78 ABCC9 (0.77) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7100235 0.78 ABCC9 (0.67) GPR174ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL3325408 0.77 KDM4E (0.65) GPR174MEN1KMT2AL3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1278746-A2 DIHYDROPYRIDINE COMPOUNDS AND METHODS OF USE Abbott Laboratories (US) 2003-01-29 EP claimed
WO-2001083480-A2 DIHYDROPYRIDINE COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2001-11-08 WO claimed
EP-1131322-A2 DIHYDROPYRIDINE COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2001-09-12 EP claimed
WO-2000024741-A2 DIHYDROPYRIDINE COMPOUNDS AND THEIR USE AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2000-05-04 WO claimed
EP-1278746-A2 DIHYDROPYRIDINE COMPOUNDS AND METHODS OF USE Abbott Laboratories (US) 2003-01-29 EP disclosed
WO-2001083480-A2 DIHYDROPYRIDINE COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2001-11-08 WO disclosed
EP-1131322-A2 DIHYDROPYRIDINE COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2001-09-12 EP disclosed
WO-2000024741-A2 DIHYDROPYRIDINE COMPOUNDS AND THEIR USE AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2000-05-04 WO disclosed