SCHEMBL6959516

SCHEMBL6959516

CC(C)(C)OC(=O)ON1CCC(c2ccc(OCC#CCOc3ccccc3)cc2)C(O)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 5/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
ADAM17 P78536 3/20 0.35
PDE4B Q07343 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
PKM P14618 1/20 0.34
KDM1A O60341 1/20 0.34
RORC P51449 1/20 0.34
MMP13 P45452 2/20 0.34
MMP1 P03956 1/20 0.34

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
SCHEMBL7074937 0.91 MEN1 (0.41) KMT2AMEN1KDM4EALDH1A1HTT
SCHEMBL6951315 0.90 PDE4B (0.41) KMT2AMEN1KDM4EALDH1A1HTT
SCHEMBL6954512 0.90 PDE4B (0.43) KMT2AMEN1KDM4EALDH1A1HTT
SCHEMBL6959176 0.89 MEN1 (0.39) KMT2AMEN1HTTPDE4BKDM1A
SCHEMBL6956098 0.89 MEN1 (0.39) KMT2AMEN1HTTPDE4BKDM1A
SCHEMBL6959509 0.88 NPC1 (0.44) KDM4EALDH1A1KDM1A
SCHEMBL6954859 0.88 MEN1 (0.40) KMT2AMEN1POLBHTTADAM17
SCHEMBL6951786 0.87 KMT2A (0.41) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL6950872 0.85 HTT (0.45) KMT2AMEN1HTTKDM1ARORC
SCHEMBL6959991 0.85 S1PR1 (0.46) KDM4EALDH1A1KDM1A

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
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed
EP-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 WO disclosed